N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline

C59H42N2 — CID 153490348

IUPACN-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C59H42N2/c1-41-15-17-43(18-16-41)44-19-21-45(22-20-44)46-27-31-52(32-28-46)60(54-35-37-55(38-36-54)61-58-13-7-5-11-56(58)57-12-6-8-14-59(57)61)53-33-29-47(30-34-53)49-24-26-50-39-48(23-25-51(50)40-49)42-9-3-2-4-10-42/h2-40H,1H3
InChIKeyKXVYUIDOSQAYIQ-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.38
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 153490348) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
PubChem CID153490348
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C59H42N2/c1-41-15-17-43(18-16-41)44-19-21-45(22-20-44)46-27-31-52(32-28-46)60(54-35-37-55(38-36-54)61-58-13-7-5-11-56(58)57-12-6-8-14-59(57)61)53-33-29-47(30-34-53)49-24-26-50-39-48(23-25-51(50)40-49)42-9-3-2-4-10-42/h2-40H,1H3
InChIKeyKXVYUIDOSQAYIQ-UHFFFAOYSA-N
XLogP16.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170092188
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-(4-carbazol-9-ylphenyl)-4-(4-fluorophenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580364
N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 76600747
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline (CID 153490348) is N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline is Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?
The InChIKey is KXVYUIDOSQAYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-41-15-17-43(18-16-41)44-19-21-45(22-20-44)46-27-31-52(32-28-46)60(54-35-37-55(38-36-54)61-58-13-7-5-11-56(58)57-12-6-8-14-59(57)61)53-33-29-47(30-34-53)49-24-26-50-39-48(23-25-51(50)40-49)42-9-3-2-4-10-42/h2-40H,1H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline has a molecular weight of 779.00 g/mol, XLogP of 16.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 153490348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).