2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline

C58H39N3 — CID 164790690

IUPAC2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-n5c6ccccc6c6ccccc65)c4)c32)cc1
InChIInChI=1S/C58H39N3/c1-2-19-45(20-3-1)60-53-27-9-8-24-51(53)52-26-15-25-48(58(52)60)44-18-14-21-47(39-44)59(46-36-34-41(35-37-46)43-33-32-40-16-4-5-17-42(40)38-43)56-30-12-13-31-57(56)61-54-28-10-6-22-49(54)50-23-7-11-29-55(50)61/h1-39H
InChIKeyLFHSTHBZYTVTCM-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline

2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 164790690) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID164790690
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-n5c6ccccc6c6ccccc65)c4)c32)cc1
InChIInChI=1S/C58H39N3/c1-2-19-45(20-3-1)60-53-27-9-8-24-51(53)52-26-15-25-48(58(52)60)44-18-14-21-47(39-44)59(46-36-34-41(35-37-46)43-33-32-40-16-4-5-17-42(40)38-43)56-30-12-13-31-57(56)61-54-28-10-6-22-49(54)50-23-7-11-29-55(50)61/h1-39H
InChIKeyLFHSTHBZYTVTCM-UHFFFAOYSA-N
XLogP15.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788792
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-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
CID 163615768
2-(9H-fluoren-9-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790614
N-(4-carbazol-9-ylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790763
N-(2-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167236432
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502544
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 164790690) is 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-n5c6ccccc6c6ccccc65)c4)c32)cc1.
What is the InChIKey of 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is LFHSTHBZYTVTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-2-19-45(20-3-1)60-53-27-9-8-24-51(53)52-26-15-25-48(58(52)60)44-18-14-21-47(39-44)59(46-36-34-41(35-37-46)43-33-32-40-16-4-5-17-42(40)38-43)56-30-12-13-31-57(56)61-54-28-10-6-22-49(54)50-23-7-11-29-55(50)61/h1-39H.
What are the key properties of 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 777.97 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 164790690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).