N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline

C58H42N2 — CID 167194935

IUPACN-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline
SMILESC1=C(c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c2c(n(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C58H42N2/c1-4-17-41(18-5-1)46-37-47(42-19-6-2-7-20-42)40-51(39-46)59(49-35-33-44(34-36-49)53-29-15-22-43-21-10-11-27-52(43)53)50-26-14-23-45(38-50)54-30-16-32-57-58(54)55-28-12-13-31-56(55)60(57)48-24-8-3-9-25-48/h1-15,17-31,33-40H,16,32H2
InChIKeyPGVNUKCILPERPM-UHFFFAOYSA-N
MW766.99 g/mol
LogP15.63
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline (PubChem CID 167194935) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline
PubChem CID167194935
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC NameN-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline
SMILESC1=C(c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c2c(n(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C58H42N2/c1-4-17-41(18-5-1)46-37-47(42-19-6-2-7-20-42)40-51(39-46)59(49-35-33-44(34-36-49)53-29-15-22-43-21-10-11-27-52(43)53)50-26-14-23-45(38-50)54-30-16-32-57-58(54)55-28-12-13-31-56(55)60(57)48-24-8-3-9-25-48/h1-15,17-31,33-40H,16,32H2
InChIKeyPGVNUKCILPERPM-UHFFFAOYSA-N
XLogP15.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
CID 176878077
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-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline (CID 167194935) is N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline is C1=C(c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c2c(n(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline?
The InChIKey is PGVNUKCILPERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-4-17-41(18-5-1)46-37-47(42-19-6-2-7-20-42)40-51(39-46)59(49-35-33-44(34-36-49)53-29-15-22-43-21-10-11-27-52(43)53)50-26-14-23-45(38-50)54-30-16-32-57-58(54)55-28-12-13-31-56(55)60(57)48-24-8-3-9-25-48/h1-15,17-31,33-40H,16,32H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline has a molecular weight of 766.99 g/mol, XLogP of 15.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 167194935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).