2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline

C52H36N2 — CID 166847633

IUPAC2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-15-37(16-5-1)38-27-31-42(32-28-38)53(49-25-12-10-21-45(49)39-17-6-2-7-18-39)43-33-29-40(30-34-43)44-23-14-24-47-46(44)35-36-51-52(47)48-22-11-13-26-50(48)54(51)41-19-8-3-9-20-41/h1-36H
InChIKeyXVWYYKURYKXRAX-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline

2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 166847633) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID166847633
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-15-37(16-5-1)38-27-31-42(32-28-38)53(49-25-12-10-21-45(49)39-17-6-2-7-18-39)43-33-29-40(30-34-43)44-23-14-24-47-46(44)35-36-51-52(47)48-22-11-13-26-50(48)54(51)41-19-8-3-9-20-41/h1-36H
InChIKeyXVWYYKURYKXRAX-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

7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-2-amine
CID 155034262
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847541

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 166847633) is 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is XVWYYKURYKXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-15-37(16-5-1)38-27-31-42(32-28-38)53(49-25-12-10-21-45(49)39-17-6-2-7-18-39)43-33-29-40(30-34-43)44-23-14-24-47-46(44)35-36-51-52(47)48-22-11-13-26-50(48)54(51)41-19-8-3-9-20-41/h1-36H.
What are the key properties of 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)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 2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166847633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).