N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline

C52H36N2 — CID 145362201

IUPACN,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-n3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)ccc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-12-37(13-5-1)39-26-32-47(33-27-39)54-50-35-29-42-14-10-11-19-48(42)52(50)49-34-28-43(36-51(49)54)41-22-20-38(21-23-41)40-24-30-46(31-25-40)53(44-15-6-2-7-16-44)45-17-8-3-9-18-45/h1-36H
InChIKeyDULGQCDAVUHTRH-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline

N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline (PubChem CID 145362201) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
PubChem CID145362201
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-n3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)ccc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-12-37(13-5-1)39-26-32-47(33-27-39)54-50-35-29-42-14-10-11-19-48(42)52(50)49-34-28-43(36-51(49)54)41-22-20-38(21-23-41)40-24-30-46(31-25-40)53(44-15-6-2-7-16-44)45-17-8-3-9-18-45/h1-36H
InChIKeyDULGQCDAVUHTRH-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59728542
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N,N-diphenylaniline;ethane
CID 144741395
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
N-[4-[4-(9-methylcarbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-3-amine;N-methyl-N-phenyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-3-yl]aniline;N-methyl-N-phenyl-7-(4-phenylphenyl)benzo[g]carbazol-9-amine;N-methyl-N-phenyl-4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]aniline;N-methyl-N-phenyl-4-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]aniline
CID 158706804
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 145362204

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline (CID 145362201) is N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline is c1ccc(-c2ccc(-n3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)ccc4c4c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline?
The InChIKey is DULGQCDAVUHTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-12-37(13-5-1)39-26-32-47(33-27-39)54-50-35-29-42-14-10-11-19-48(42)52(50)49-34-28-43(36-51(49)54)41-22-20-38(21-23-41)40-24-30-46(31-25-40)53(44-15-6-2-7-16-44)45-17-8-3-9-18-45/h1-36H.
What are the key properties of N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline?
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 145362201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).