4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

C63H49N3 — CID 166723492

IUPAC4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc21
InChIInChI=1S/C63H49N3/c1-63(2)59-26-16-15-25-55(59)56-38-37-54(43-60(56)63)66-61-39-31-46(44-27-33-52(34-28-44)64(48-17-7-3-8-18-48)49-19-9-4-10-20-49)41-57(61)58-42-47(32-40-62(58)66)45-29-35-53(36-30-45)65(50-21-11-5-12-22-50)51-23-13-6-14-24-51/h3-15,17-25,27-43H,16,26H2,1-2H3
InChIKeyKXSODWDFJITFFF-UHFFFAOYSA-N
MW848.11 g/mol
LogP17.45
Rot. Bonds9

About 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 166723492) has the molecular formula C63H49N3 and a molecular weight of 848.11 g/mol. Its IUPAC name is 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
PubChem CID166723492
Molecular FormulaC63H49N3
Molecular Weight848.11 g/mol
Exact Mass847.39
IUPAC Name4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc21
InChIInChI=1S/C63H49N3/c1-63(2)59-26-16-15-25-55(59)56-38-37-54(43-60(56)63)66-61-39-31-46(44-27-33-52(34-28-44)64(48-17-7-3-8-18-48)49-19-9-4-10-20-49)41-57(61)58-42-47(32-40-62(58)66)45-29-35-53(36-30-45)65(50-21-11-5-12-22-50)51-23-13-6-14-24-51/h3-15,17-25,27-43H,16,26H2,1-2H3
InChIKeyKXSODWDFJITFFF-UHFFFAOYSA-N
XLogP17.45
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.11
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-N-(3-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 135163157
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine
CID 138737549
N-[4-[5-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 88882512
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315

Frequently Asked Questions

What is the IUPAC name of 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (CID 166723492) is 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is CC1(C)C2=C(C=CCC2)c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc21.
What is the InChIKey of 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is KXSODWDFJITFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N3/c1-63(2)59-26-16-15-25-55(59)56-38-37-54(43-60(56)63)66-61-39-31-46(44-27-33-52(34-28-44)64(48-17-7-3-8-18-48)49-19-9-4-10-20-49)41-57(61)58-42-47(32-40-62(58)66)45-29-35-53(36-30-45)65(50-21-11-5-12-22-50)51-23-13-6-14-24-51/h3-15,17-25,27-43H,16,26H2,1-2H3.
What are the key properties of 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 848.11 g/mol, XLogP of 17.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 166723492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).