N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C73H50N2 — CID 145318458

IUPACN-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCc1cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3ccccc23)ccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)ccc1C
InChIInChI=1S/C73H50N2/c1-47-33-37-54(44-63(47)56-41-36-51(43-48(56)2)64-46-66-61-27-14-18-32-71(61)75(52-21-7-4-8-22-52)72(66)62-28-10-9-23-57(62)64)74(53-38-34-50(35-39-53)49-19-5-3-6-20-49)55-40-42-70-65(45-55)60-26-13-17-31-69(60)73(70)67-29-15-11-24-58(67)59-25-12-16-30-68(59)73/h3-46H,1-2H3
InChIKeyBXVZGVDYNXSBCF-UHFFFAOYSA-N
MW955.22 g/mol
LogP19.37
Rot. Bonds7

About N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 145318458) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID145318458
Molecular FormulaC73H50N2
Molecular Weight955.22 g/mol
Exact Mass954.40
IUPAC NameN-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCc1cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3ccccc23)ccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)ccc1C
InChIInChI=1S/C73H50N2/c1-47-33-37-54(44-63(47)56-41-36-51(43-48(56)2)64-46-66-61-27-14-18-32-71(61)75(52-21-7-4-8-22-52)72(66)62-28-10-9-23-57(62)64)74(53-38-34-50(35-39-53)49-19-5-3-6-20-49)55-40-42-70-65(45-55)60-26-13-17-31-69(60)73(70)67-29-15-11-24-58(67)59-25-12-16-30-68(59)73/h3-46H,1-2H3
InChIKeyBXVZGVDYNXSBCF-UHFFFAOYSA-N
XLogP19.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.22
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine
CID 129180986
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 157239139
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 139384267
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine
CID 165155466
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023324
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

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 145318458) is N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is Cc1cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3ccccc23)ccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)ccc1C.
What is the InChIKey of N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is BXVZGVDYNXSBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-47-33-37-54(44-63(47)56-41-36-51(43-48(56)2)64-46-66-61-27-14-18-32-71(61)75(52-21-7-4-8-22-52)72(66)62-28-10-9-23-57(62)64)74(53-38-34-50(35-39-53)49-19-5-3-6-20-49)55-40-42-70-65(45-55)60-26-13-17-31-69(60)73(70)67-29-15-11-24-58(67)59-25-12-16-30-68(59)73/h3-46H,1-2H3.
What are the key properties of N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 955.22 g/mol, XLogP of 19.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 145318458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).