N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline

C62H44N2 — CID 167195042

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
SMILESC1=Cc2c(n(-c3ccccc3)c3cccc(-c4cccc(-c5ccccc5N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c23)CC1
InChIInChI=1S/C62H44N2/c1-2-21-51(22-3-1)64-60-29-11-9-25-58(60)62-57(27-14-30-61(62)64)50-20-12-19-49(42-50)56-24-8-10-28-59(56)63(52-37-33-44(34-38-52)48-32-31-43-15-4-5-17-47(43)41-48)53-39-35-46(36-40-53)55-26-13-18-45-16-6-7-23-54(45)55/h1-10,12-28,30-42H,11,29H2
InChIKeyAUNZUBGTNQFYQO-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.03
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline (PubChem CID 167195042) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
PubChem CID167195042
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
SMILESC1=Cc2c(n(-c3ccccc3)c3cccc(-c4cccc(-c5ccccc5N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c23)CC1
InChIInChI=1S/C62H44N2/c1-2-21-51(22-3-1)64-60-29-11-9-25-58(60)62-57(27-14-30-61(62)64)50-20-12-19-49(42-50)56-24-8-10-28-59(56)63(52-37-33-44(34-38-52)48-32-31-43-15-4-5-17-47(43)41-48)53-39-35-46(36-40-53)55-26-13-18-45-16-6-7-23-54(45)55/h1-10,12-28,30-42H,11,29H2
InChIKeyAUNZUBGTNQFYQO-UHFFFAOYSA-N
XLogP17.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174280764
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]aniline
CID 158938030
N,N-bis(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N,N-bis(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 157104879
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
5-naphthalen-2-yl-3-N-(9-phenylcarbazol-4-yl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine;5-naphthalen-2-yl-3-N-(2-phenylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)-3-N-[4-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 163659291
N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 170273206
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline (CID 167195042) is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline is C1=Cc2c(n(-c3ccccc3)c3cccc(-c4cccc(-c5ccccc5N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c23)CC1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline?
The InChIKey is AUNZUBGTNQFYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-2-21-51(22-3-1)64-60-29-11-9-25-58(60)62-57(27-14-30-61(62)64)50-20-12-19-49(42-50)56-24-8-10-28-59(56)63(52-37-33-44(34-38-52)48-32-31-43-15-4-5-17-47(43)41-48)53-39-35-46(36-40-53)55-26-13-18-45-16-6-7-23-54(45)55/h1-10,12-28,30-42H,11,29H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline has a molecular weight of 817.05 g/mol, XLogP of 17.03, 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)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 167195042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).