4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline

C208H147N3 — CID 158185376

IUPAC4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc32)cc1.CN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.CN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C76H49N.C76H53N.C56H45N/c1-77(52-17-3-2-4-18-52)53-37-31-47(32-38-53)74-62-41-35-48(50-33-39-60-58-23-9-15-29-70(58)75(72(60)45-50)66-25-11-5-19-54(66)55-20-6-12-26-67(55)75)43-64(62)65-44-49(36-42-63(65)74)51-34-40-61-59-24-10-16-30-71(59)76(73(61)46-51)68-27-13-7-21-56(68)57-22-8-14-28-69(57)76;1-77(60-29-15-6-16-30-60)61-41-35-51(36-42-61)74-66-45-39-52(54-37-43-64-62-31-17-19-33-70(62)75(72(64)49-54,56-21-7-2-8-22-56)57-23-9-3-10-24-57)47-68(66)69-48-53(40-46-67(69)74)55-38-44-65-63-32-18-20-34-71(63)76(73(65)50-55,58-25-11-4-12-26-58)59-27-13-5-14-28-59;1-55(2)50-17-11-9-15-42(50)44-27-21-38(33-52(44)55)36-23-29-46-48(31-36)49-32-37(39-22-28-45-43-16-10-12-18-51(43)56(3,4)53(45)34-39)24-30-47(49)54(46)35-19-25-41(26-20-35)57(5)40-13-7-6-8-14-40/h2-46,74H,1H3;2-50,74H,1H3;6-34,54H,1-5H3
InChIKeyFZBRUQMSQWCXPZ-UHFFFAOYSA-N
MW2688.48 g/mol
LogP51.87
Rot. Bonds19

About 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline

4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline (PubChem CID 158185376) has the molecular formula C208H147N3 and a molecular weight of 2688.48 g/mol. Its IUPAC name is 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline
PubChem CID158185376
Molecular FormulaC208H147N3
Molecular Weight2688.48 g/mol
Exact Mass2686.16
IUPAC Name4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc32)cc1.CN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.CN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C76H49N.C76H53N.C56H45N/c1-77(52-17-3-2-4-18-52)53-37-31-47(32-38-53)74-62-41-35-48(50-33-39-60-58-23-9-15-29-70(58)75(72(60)45-50)66-25-11-5-19-54(66)55-20-6-12-26-67(55)75)43-64(62)65-44-49(36-42-63(65)74)51-34-40-61-59-24-10-16-30-71(59)76(73(61)46-51)68-27-13-7-21-56(68)57-22-8-14-28-69(57)76;1-77(60-29-15-6-16-30-60)61-41-35-51(36-42-61)74-66-45-39-52(54-37-43-64-62-31-17-19-33-70(62)75(72(64)49-54,56-21-7-2-8-22-56)57-23-9-3-10-24-57)47-68(66)69-48-53(40-46-67(69)74)55-38-44-65-63-32-18-20-34-71(63)76(73(65)50-55,58-25-11-4-12-26-58)59-27-13-5-14-28-59;1-55(2)50-17-11-9-15-42(50)44-27-21-38(33-52(44)55)36-23-29-46-48(31-36)49-32-37(39-22-28-45-43-16-10-12-18-51(43)56(3,4)53(45)34-39)24-30-47(49)54(46)35-19-25-41(26-20-35)57(5)40-13-7-6-8-14-40/h2-46,74H,1H3;2-50,74H,1H3;6-34,54H,1-5H3
InChIKeyFZBRUQMSQWCXPZ-UHFFFAOYSA-N
XLogP51.87
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms211
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002688.48
LogP ≤ 551.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline with MolForge

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Related Compounds

N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480618
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175618041
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
CID 171742930
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline?
The IUPAC name of 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline (CID 158185376) is 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline?
The canonical SMILES for 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc32)cc1.CN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.CN(c1ccccc1)c1ccc(C2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline?
The InChIKey is FZBRUQMSQWCXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H49N.C76H53N.C56H45N/c1-77(52-17-3-2-4-18-52)53-37-31-47(32-38-53)74-62-41-35-48(50-33-39-60-58-23-9-15-29-70(58)75(72(60)45-50)66-25-11-5-19-54(66)55-20-6-12-26-67(55)75)43-64(62)65-44-49(36-42-63(65)74)51-34-40-61-59-24-10-16-30-71(59)76(73(61)46-51)68-27-13-7-21-56(68)57-22-8-14-28-69(57)76;1-77(60-29-15-6-16-30-60)61-41-35-51(36-42-61)74-66-45-39-52(54-37-43-64-62-31-17-19-33-70(62)75(72(64)49-54,56-21-7-2-8-22-56)57-23-9-3-10-24-57)47-68(66)69-48-53(40-46-67(69)74)55-38-44-65-63-32-18-20-34-71(63)76(73(65)50-55,58-25-11-4-12-26-58)59-27-13-5-14-28-59;1-55(2)50-17-11-9-15-42(50)44-27-21-38(33-52(44)55)36-23-29-46-48(31-36)49-32-37(39-22-28-45-43-16-10-12-18-51(43)56(3,4)53(45)34-39)24-30-47(49)54(46)35-19-25-41(26-20-35)57(5)40-13-7-6-8-14-40/h2-46,74H,1H3;2-50,74H,1H3;6-34,54H,1-5H3.
What are the key properties of 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline?
4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline has a molecular weight of 2688.48 g/mol, XLogP of 51.87, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 158185376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).