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

C58H39N3 — CID 164790714

IUPAC3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c32)cc1
InChIInChI=1S/C58H39N3/c1-2-17-43(18-3-1)61-57-30-11-8-24-53(57)54-27-14-26-50(58(54)61)42-33-37-45(38-34-42)59(44-35-31-41(32-36-44)49-25-12-16-40-15-4-5-21-48(40)49)46-19-13-20-47(39-46)60-55-28-9-6-22-51(55)52-23-7-10-29-56(52)60/h1-39H
InChIKeyOENQRLDYRZWOPY-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

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

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 164790714) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID164790714
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c32)cc1
InChIInChI=1S/C58H39N3/c1-2-17-43(18-3-1)61-57-30-11-8-24-53(57)54-27-14-26-50(58(54)61)42-33-37-45(38-34-42)59(44-35-31-41(32-36-44)49-25-12-16-40-15-4-5-21-48(40)49)46-19-13-20-47(39-46)60-55-28-9-6-22-51(55)52-23-7-10-29-56(52)60/h1-39H
InChIKeyOENQRLDYRZWOPY-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-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
3-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 169063013
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165036325
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
CID 172504626
4-naphthalen-1-yl-N-phenyl-N-[4-(7-phenylbenzo[c]carbazol-5-yl)phenyl]aniline
CID 170177852

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 164790714) is 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c32)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is OENQRLDYRZWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-2-17-43(18-3-1)61-57-30-11-8-24-53(57)54-27-14-26-50(58(54)61)42-33-37-45(38-34-42)59(44-35-31-41(32-36-44)49-25-12-16-40-15-4-5-21-48(40)49)46-19-13-20-47(39-46)60-55-28-9-6-22-51(55)52-23-7-10-29-56(52)60/h1-39H.
What are the key properties of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(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 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 164790714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).