N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

C58H39N3 — CID 168809328

IUPACN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C58H39N3/c1-3-16-40(17-4-1)42-19-15-22-46(36-42)59(47-34-35-58-54(38-47)52-26-11-14-29-57(52)60(58)44-20-5-2-6-21-44)45-32-30-41(31-33-45)53-39-48(37-43-18-7-8-23-49(43)53)61-55-27-12-9-24-50(55)51-25-10-13-28-56(51)61/h1-39H
InChIKeyYAWSHMKSFCTBBB-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 168809328) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID168809328
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC NameN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C58H39N3/c1-3-16-40(17-4-1)42-19-15-22-46(36-42)59(47-34-35-58-54(38-47)52-26-11-14-29-57(52)60(58)44-20-5-2-6-21-44)45-32-30-41(31-33-45)53-39-48(37-43-18-7-8-23-49(43)53)61-55-27-12-9-24-50(55)51-25-10-13-28-56(51)61/h1-39H
InChIKeyYAWSHMKSFCTBBB-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

3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 59181391
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 170139000
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 168809328) is N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is YAWSHMKSFCTBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-3-16-40(17-4-1)42-19-15-22-46(36-42)59(47-34-35-58-54(38-47)52-26-11-14-29-57(52)60(58)44-20-5-2-6-21-44)45-32-30-41(31-33-45)53-39-48(37-43-18-7-8-23-49(43)53)61-55-27-12-9-24-50(55)51-25-10-13-28-56(51)61/h1-39H.
What are the key properties of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-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-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 168809328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).