N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline

C51H35N3 — CID 121296363

IUPACN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6cccnc65)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-2-11-36(12-3-1)37-22-28-42(29-23-37)53(44-32-26-40(27-33-44)47-19-9-14-39-13-4-5-17-46(39)47)43-30-24-38(25-31-43)41-15-8-16-45(35-41)54-50-21-7-6-18-48(50)49-20-10-34-52-51(49)54/h1-35H
InChIKeyPZIPCWBBTWKTDC-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.80
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline (PubChem CID 121296363) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline
PubChem CID121296363
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6cccnc65)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-2-11-36(12-3-1)37-22-28-42(29-23-37)53(44-32-26-40(27-33-44)47-19-9-14-39-13-4-5-17-46(39)47)43-30-24-38(25-31-43)41-15-8-16-45(35-41)54-50-21-7-6-18-48(50)49-20-10-34-52-51(49)54/h1-35H
InChIKeyPZIPCWBBTWKTDC-UHFFFAOYSA-N
XLogP13.80
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901543
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-carbazol-9-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161173154
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234123
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 158562169
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline (CID 121296363) is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6cccnc65)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline?
The InChIKey is PZIPCWBBTWKTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-2-11-36(12-3-1)37-22-28-42(29-23-37)53(44-32-26-40(27-33-44)47-19-9-14-39-13-4-5-17-46(39)47)43-30-24-38(25-31-43)41-15-8-16-45(35-41)54-50-21-7-6-18-48(50)49-20-10-34-52-51(49)54/h1-35H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline has a molecular weight of 689.86 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline is sourced from PubChem (CID 121296363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).