N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

C68H46N2 — CID 172501114

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C68H46N2/c1-2-17-49(18-3-1)58-23-6-7-24-60(58)61-25-8-9-26-62(61)63-27-10-13-30-66(63)69(55-42-37-48(38-43-55)52-39-44-59-53(45-52)34-33-50-19-4-5-22-57(50)59)54-40-35-47(36-41-54)51-20-16-21-56(46-51)70-67-31-14-11-28-64(67)65-29-12-15-32-68(65)70/h1-46H
InChIKeyCEZMNWJHVXTFEX-UHFFFAOYSA-N
MW891.13 g/mol
LogP18.89
Rot. Bonds9

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172501114) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172501114
Molecular FormulaC68H46N2
Molecular Weight891.13 g/mol
Exact Mass890.37
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C68H46N2/c1-2-17-49(18-3-1)58-23-6-7-24-60(58)61-25-8-9-26-62(61)63-27-10-13-30-66(63)69(55-42-37-48(38-43-55)52-39-44-59-53(45-52)34-33-50-19-4-5-22-57(50)59)54-40-35-47(36-41-54)51-20-16-21-56(46-51)70-67-31-14-11-28-64(67)65-29-12-15-32-68(65)70/h1-46H
InChIKeyCEZMNWJHVXTFEX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168790813
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790793
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502466
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenanthren-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235316
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(4-phenylphenyl)aniline
CID 158530680
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172501114) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is CEZMNWJHVXTFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-2-17-49(18-3-1)58-23-6-7-24-60(58)61-25-8-9-26-62(61)63-27-10-13-30-66(63)69(55-42-37-48(38-43-55)52-39-44-59-53(45-52)34-33-50-19-4-5-22-57(50)59)54-40-35-47(36-41-54)51-20-16-21-56(46-51)70-67-31-14-11-28-64(67)65-29-12-15-32-68(65)70/h1-46H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]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-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172501114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).