4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C68H46N2 — CID 170379939

IUPAC4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5)cc4)c23)cc1
InChIInChI=1S/C68H46N2/c1-3-15-49(16-4-1)59-25-11-19-53-21-13-27-61(67(53)59)51-35-43-56(44-36-51)69(57-45-37-52(38-46-57)62-28-14-22-54-20-12-26-60(68(54)62)50-17-5-2-6-18-50)55-39-31-47(32-40-55)48-33-41-58(42-34-48)70-65-29-9-7-23-63(65)64-24-8-10-30-66(64)70/h1-46H
InChIKeyMPFCVYMZCDDOPO-UHFFFAOYSA-N
MW891.13 g/mol
LogP18.89
Rot. Bonds9

About 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170379939) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170379939
Molecular FormulaC68H46N2
Molecular Weight891.13 g/mol
Exact Mass890.37
IUPAC Name4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5)cc4)c23)cc1
InChIInChI=1S/C68H46N2/c1-3-15-49(16-4-1)59-25-11-19-53-21-13-27-61(67(53)59)51-35-43-56(44-36-51)69(57-45-37-52(38-46-57)62-28-14-22-54-20-12-26-60(68(54)62)50-17-5-2-6-18-50)55-39-31-47(32-40-55)48-33-41-58(42-34-48)70-65-29-9-7-23-63(65)64-24-8-10-30-66(64)70/h1-46H
InChIKeyMPFCVYMZCDDOPO-UHFFFAOYSA-N
XLogP18.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.13
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170379939) is 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5)cc4)c23)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is MPFCVYMZCDDOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-3-15-49(16-4-1)59-25-11-19-53-21-13-27-61(67(53)59)51-35-43-56(44-36-51)69(57-45-37-52(38-46-57)62-28-14-22-54-20-12-26-60(68(54)62)50-17-5-2-6-18-50)55-39-31-47(32-40-55)48-33-41-58(42-34-48)70-65-29-9-7-23-63(65)64-24-8-10-30-66(64)70/h1-46H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 891.13 g/mol, XLogP of 18.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170379939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).