2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline

C59H40N2 — CID 164790614

IUPAC2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5C5c6ccccc6-c6ccccc65)cc4)c32)cc1
InChIInChI=1S/C59H40N2/c1-2-17-45(18-3-1)61-56-27-12-10-21-51(56)54-26-14-25-48(59(54)61)42-33-37-47(38-34-42)60(46-35-31-41(32-36-46)44-30-29-40-15-4-5-16-43(40)39-44)57-28-13-11-24-55(57)58-52-22-8-6-19-49(52)50-20-7-9-23-53(50)58/h1-39,58H
InChIKeyMGBYRCZJNKDCMI-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.90
Rot. Bonds7

About 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline

2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 164790614) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID164790614
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5C5c6ccccc6-c6ccccc65)cc4)c32)cc1
InChIInChI=1S/C59H40N2/c1-2-17-45(18-3-1)61-56-27-12-10-21-51(56)54-26-14-25-48(59(54)61)42-33-37-47(38-34-42)60(46-35-31-41(32-36-46)44-30-29-40-15-4-5-16-43(40)39-44)57-28-13-11-24-55(57)58-52-22-8-6-19-49(52)50-20-7-9-23-53(50)58/h1-39,58H
InChIKeyMGBYRCZJNKDCMI-UHFFFAOYSA-N
XLogP15.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790690
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168789420
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-4-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-5-amine
CID 159554743
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 122666236
N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412525
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 164790614) is 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5C5c6ccccc6-c6ccccc65)cc4)c32)cc1.
What is the InChIKey of 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is MGBYRCZJNKDCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-2-17-45(18-3-1)61-56-27-12-10-21-51(56)54-26-14-25-48(59(54)61)42-33-37-47(38-34-42)60(46-35-31-41(32-36-46)44-30-29-40-15-4-5-16-43(40)39-44)57-28-13-11-24-55(57)58-52-22-8-6-19-49(52)50-20-7-9-23-53(50)58/h1-39,58H.
What are the key properties of 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 776.98 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 164790614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).