N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline

C68H46N2 — CID 166659667

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline
SMILESc1ccc(-c2ccc3c4c(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc(-c7cccc8ccccc78)cc6)c5)cc(-c5ccccc5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C68H46N2/c1-4-16-47(17-5-1)55-36-41-64-66(45-55)70(58-25-8-3-9-26-58)67-46-57(48-18-6-2-7-19-48)44-65(68(64)67)56-24-14-27-61(43-56)69(59-37-32-50(33-38-59)54-31-30-49-20-10-11-22-53(49)42-54)60-39-34-52(35-40-60)63-29-15-23-51-21-12-13-28-62(51)63/h1-46H
InChIKeyWJZZEIXBLHMBBI-UHFFFAOYSA-N
MW891.13 g/mol
LogP18.89
Rot. Bonds9

About N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline (PubChem CID 166659667) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline
PubChem CID166659667
Molecular FormulaC68H46N2
Molecular Weight891.13 g/mol
Exact Mass890.37
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline
SMILESc1ccc(-c2ccc3c4c(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc(-c7cccc8ccccc78)cc6)c5)cc(-c5ccccc5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C68H46N2/c1-4-16-47(17-5-1)55-36-41-64-66(45-55)70(58-25-8-3-9-26-58)67-46-57(48-18-6-2-7-19-48)44-65(68(64)67)56-24-14-27-61(43-56)69(59-37-32-50(33-38-59)54-31-30-49-20-10-11-22-53(49)42-54)60-39-34-52(35-40-60)63-29-15-23-51-21-12-13-28-62(51)63/h1-46H
InChIKeyWJZZEIXBLHMBBI-UHFFFAOYSA-N
XLogP18.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.13
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 167194994
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline (CID 166659667) is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline is c1ccc(-c2ccc3c4c(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc(-c7cccc8ccccc78)cc6)c5)cc(-c5ccccc5)cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline?
The InChIKey is WJZZEIXBLHMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-4-16-47(17-5-1)55-36-41-64-66(45-55)70(58-25-8-3-9-26-58)67-46-57(48-18-6-2-7-19-48)44-65(68(64)67)56-24-14-27-61(43-56)69(59-37-32-50(33-38-59)54-31-30-49-20-10-11-22-53(49)42-54)60-39-34-52(35-40-60)63-29-15-23-51-21-12-13-28-62(51)63/h1-46H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline?
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline has a molecular weight of 891.13 g/mol, XLogP of 18.89, 9 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)-3-(2,7,9-triphenylcarbazol-4-yl)aniline is sourced from PubChem (CID 166659667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).