N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

C56H38N2 — CID 118087639

IUPACN-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4ccccc4c4cc(-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c5)ccc43)c2)cc1
InChIInChI=1S/C56H38N2/c1-3-16-39(17-4-1)44-34-45(50-29-14-20-40-18-7-9-26-49(40)50)37-48(36-44)58-55-30-12-11-28-52(55)53-38-43(32-33-56(53)58)42-22-13-25-47(35-42)57(46-23-5-2-6-24-46)54-31-15-21-41-19-8-10-27-51(41)54/h1-38H
InChIKeyRMURTDUCVJACNJ-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 118087639) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID118087639
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4ccccc4c4cc(-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c5)ccc43)c2)cc1
InChIInChI=1S/C56H38N2/c1-3-16-39(17-4-1)44-34-45(50-29-14-20-40-18-7-9-26-49(40)50)37-48(36-44)58-55-30-12-11-28-52(55)53-38-43(32-33-56(53)58)42-22-13-25-47(35-42)57(46-23-5-2-6-24-46)54-31-15-21-41-19-8-10-27-51(41)54/h1-38H
InChIKeyRMURTDUCVJACNJ-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
N-[3-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 118087617
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118289313
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
N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 159204895
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118087664
N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 118462718

Frequently Asked Questions

What is the IUPAC name of N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 118087639) is N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4ccccc4c4cc(-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c5)ccc43)c2)cc1.
What is the InChIKey of N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is RMURTDUCVJACNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-16-39(17-4-1)44-34-45(50-29-14-20-40-18-7-9-26-49(40)50)37-48(36-44)58-55-30-12-11-28-52(55)53-38-43(32-33-56(53)58)42-22-13-25-47(35-42)57(46-23-5-2-6-24-46)54-31-15-21-41-19-8-10-27-51(41)54/h1-38H.
What are the key properties of N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 118087639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).