N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

C58H39N3 — CID 168809019

IUPACN-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C58H39N3/c1-3-16-40(17-4-1)41-30-35-45(36-31-41)59(56-29-15-25-51-50-24-11-12-26-52(50)60(58(51)56)44-19-5-2-6-20-44)46-37-32-43(33-38-46)57-47-21-8-7-18-42(47)34-39-55(57)61-53-27-13-9-22-48(53)49-23-10-14-28-54(49)61/h1-39H
InChIKeySQYGTYUVUZNNRT-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (PubChem CID 168809019) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
PubChem CID168809019
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC NameN-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C58H39N3/c1-3-16-40(17-4-1)41-30-35-45(36-31-41)59(56-29-15-25-51-50-24-11-12-26-52(50)60(58(51)56)44-19-5-2-6-20-44)46-37-32-43(33-38-46)57-47-21-8-7-18-42(47)34-39-55(57)61-53-27-13-9-22-48(53)49-23-10-14-28-54(49)61/h1-39H
InChIKeySQYGTYUVUZNNRT-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

Analyze N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine with MolForge

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Related Compounds

N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038449
9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
CID 118410903
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine;N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine;N,N,11-triphenylbenzo[a]carbazol-10-amine
CID 164979626
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167181795
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine
CID 155004375
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170271578
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (CID 168809019) is N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The InChIKey is SQYGTYUVUZNNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-3-16-40(17-4-1)41-30-35-45(36-31-41)59(56-29-15-25-51-50-24-11-12-26-52(50)60(58(51)56)44-19-5-2-6-20-44)46-37-32-43(33-38-46)57-47-21-8-7-18-42(47)34-39-55(57)61-53-27-13-9-22-48(53)49-23-10-14-28-54(49)61/h1-39H.
What are the key properties of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine 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 N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 168809019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).