N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline

C246H158N4O3 — CID 157427313

IUPACN-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline
SMILESC.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C82H51NO.C81H52N2O.CH4/c1-3-20-52(21-4-1)58-46-59(53-22-5-2-6-23-53)49-62(48-58)83(61-41-45-75-70(51-61)68-33-14-18-37-74(68)81(75)71-34-15-11-30-65(71)66-31-12-16-35-72(66)81)60-27-19-26-56(47-60)57-38-42-69-67-32-13-17-36-73(67)82(78(69)50-57)76-43-39-54-24-7-9-28-63(54)79(76)84-80-64-29-10-8-25-55(64)40-44-77(80)82;1-3-19-52(20-4-1)58-47-59(53-21-5-2-6-22-53)49-62(48-58)83(61-42-44-70-68-30-13-17-33-73(68)81(78(70)51-61)71-31-15-11-27-65(71)66-28-12-16-32-72(66)81)60-40-35-54(36-41-60)57-37-43-69-67-29-14-18-34-74(67)82(77(69)50-57)75-45-38-55-23-7-9-25-63(55)79(75)84-80-64-26-10-8-24-56(64)39-46-76(80)82;1-3-15-53(16-4-1)55-31-41-64(42-32-55)82(66-45-35-58(36-46-66)61-40-50-78-72(51-61)71-24-12-14-26-77(71)83(78)63-19-5-2-6-20-63)65-43-33-56(34-44-65)54-27-29-57(30-28-54)62-37-47-70-69-23-11-13-25-73(69)81(76(70)52-62)74-48-38-59-17-7-9-21-67(59)79(74)84-80-68-22-10-8-18-60(68)39-49-75(80)81;/h2*1-51H;1-52H;1H4
InChIKeyBQCNDEROWQAKKG-UHFFFAOYSA-N
MW3217.99 g/mol
LogP64.89
Rot. Bonds20

About N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline

N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline (PubChem CID 157427313) has the molecular formula C246H158N4O3 and a molecular weight of 3217.99 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline
PubChem CID157427313
Molecular FormulaC246H158N4O3
Molecular Weight3217.99 g/mol
Exact Mass3215.23
IUPAC NameN-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline
SMILESC.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C82H51NO.C81H52N2O.CH4/c1-3-20-52(21-4-1)58-46-59(53-22-5-2-6-23-53)49-62(48-58)83(61-41-45-75-70(51-61)68-33-14-18-37-74(68)81(75)71-34-15-11-30-65(71)66-31-12-16-35-72(66)81)60-27-19-26-56(47-60)57-38-42-69-67-32-13-17-36-73(67)82(78(69)50-57)76-43-39-54-24-7-9-28-63(54)79(76)84-80-64-29-10-8-25-55(64)40-44-77(80)82;1-3-19-52(20-4-1)58-47-59(53-21-5-2-6-22-53)49-62(48-58)83(61-42-44-70-68-30-13-17-33-73(68)81(78(70)51-61)71-31-15-11-27-65(71)66-28-12-16-32-72(66)81)60-40-35-54(36-41-60)57-37-43-69-67-29-14-18-34-74(67)82(77(69)50-57)75-45-38-55-23-7-9-25-63(55)79(75)84-80-64-26-10-8-24-56(64)39-46-76(80)82;1-3-15-53(16-4-1)55-31-41-64(42-32-55)82(66-45-35-58(36-46-66)61-40-50-78-72(51-61)71-24-12-14-26-77(71)83(78)63-19-5-2-6-20-63)65-43-33-56(34-44-65)54-27-29-57(30-28-54)62-37-47-70-69-23-11-13-25-73(69)81(76(70)52-62)74-48-38-59-17-7-9-21-67(59)79(74)84-80-68-22-10-8-18-60(68)39-49-75(80)81;/h2*1-51H;1-52H;1H4
InChIKeyBQCNDEROWQAKKG-UHFFFAOYSA-N
XLogP64.89
TPSA42.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms253
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003217.99
LogP ≤ 564.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline with MolForge

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylcarbazol-3-amine
CID 135229858
N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135229807
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(3,5-diphenylphenyl)-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 165027363
9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 122524701
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylnaphthalen-1-yl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(6-phenylnaphthalen-2-yl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 162252751
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 160503630
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
The IUPAC name of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline (CID 157427313) is N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline is C.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
The InChIKey is BQCNDEROWQAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C82H51NO.C81H52N2O.CH4/c1-3-20-52(21-4-1)58-46-59(53-22-5-2-6-23-53)49-62(48-58)83(61-41-45-75-70(51-61)68-33-14-18-37-74(68)81(75)71-34-15-11-30-65(71)66-31-12-16-35-72(66)81)60-27-19-26-56(47-60)57-38-42-69-67-32-13-17-36-73(67)82(78(69)50-57)76-43-39-54-24-7-9-28-63(54)79(76)84-80-64-29-10-8-25-55(64)40-44-77(80)82;1-3-19-52(20-4-1)58-47-59(53-21-5-2-6-22-53)49-62(48-58)83(61-42-44-70-68-30-13-17-33-73(68)81(78(70)51-61)71-31-15-11-27-65(71)66-28-12-16-32-72(66)81)60-40-35-54(36-41-60)57-37-43-69-67-29-14-18-34-74(67)82(77(69)50-57)75-45-38-55-23-7-9-25-63(55)79(75)84-80-64-26-10-8-24-56(64)39-46-76(80)82;1-3-15-53(16-4-1)55-31-41-64(42-32-55)82(66-45-35-58(36-46-66)61-40-50-78-72(51-61)71-24-12-14-26-77(71)83(78)63-19-5-2-6-20-63)65-43-33-56(34-44-65)54-27-29-57(30-28-54)62-37-47-70-69-23-11-13-25-73(69)81(76(70)52-62)74-48-38-59-17-7-9-21-67(59)79(74)84-80-68-22-10-8-18-60(68)39-49-75(80)81;/h2*1-51H;1-52H;1H4.
What are the key properties of N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline has a molecular weight of 3217.99 g/mol, XLogP of 64.89, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline is sourced from PubChem (CID 157427313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).