N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine

C52H36N2 — CID 118505881

IUPACN-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-12-37(13-4-1)40-22-28-45(29-23-40)53(48-32-26-39-16-7-8-17-42(39)34-48)47-19-11-18-43(35-47)44-27-33-50-49-20-9-10-21-51(49)54(52(50)36-44)46-30-24-41(25-31-46)38-14-5-2-6-15-38/h1-36H
InChIKeyIEQDSFOATVFGJK-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine

N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine (PubChem CID 118505881) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
PubChem CID118505881
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-12-37(13-4-1)40-22-28-45(29-23-40)53(48-32-26-39-16-7-8-17-42(39)34-48)47-19-11-18-43(35-47)44-27-33-50-49-20-9-10-21-51(49)54(52(50)36-44)46-30-24-41(25-31-46)38-14-5-2-6-15-38/h1-36H
InChIKeyIEQDSFOATVFGJK-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-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine (CID 118505881) is N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine?
The InChIKey is IEQDSFOATVFGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-12-37(13-4-1)40-22-28-45(29-23-40)53(48-32-26-39-16-7-8-17-42(39)34-48)47-19-11-18-43(35-47)44-27-33-50-49-20-9-10-21-51(49)54(52(50)36-44)46-30-24-41(25-31-46)38-14-5-2-6-15-38/h1-36H.
What are the key properties of N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine?
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine 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-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 118505881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).