N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

C62H42N2 — CID 146578844

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1
InChIInChI=1S/C62H42N2/c1-3-13-49-39-53(29-27-43(49)11-1)47-25-23-45(24-26-47)46-31-35-55(36-32-46)63(57-17-10-16-52(42-57)54-30-28-44-12-2-4-14-50(44)40-54)56-37-33-48(34-38-56)51-15-9-18-58(41-51)64-61-21-7-5-19-59(61)60-20-6-8-22-62(60)64/h1-42H
InChIKeyNBXLXANVFMQWTB-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 146578844) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID146578844
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1
InChIInChI=1S/C62H42N2/c1-3-13-49-39-53(29-27-43(49)11-1)47-25-23-45(24-26-47)46-31-35-55(36-32-46)63(57-17-10-16-52(42-57)54-30-28-44-12-2-4-14-50(44)40-54)56-37-33-48(34-38-56)51-15-9-18-58(41-51)64-61-21-7-5-19-59(61)60-20-6-8-22-62(60)64/h1-42H
InChIKeyNBXLXANVFMQWTB-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 166566072
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578444
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
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-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 146578844) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is NBXLXANVFMQWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-13-49-39-53(29-27-43(49)11-1)47-25-23-45(24-26-47)46-31-35-55(36-32-46)63(57-17-10-16-52(42-57)54-30-28-44-12-2-4-14-50(44)40-54)56-37-33-48(34-38-56)51-15-9-18-58(41-51)64-61-21-7-5-19-59(61)60-20-6-8-22-62(60)64/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 146578844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).