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

C68H46N2 — CID 168790793

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C68H46N2/c1-3-16-50(17-4-1)59-22-9-10-25-64(59)68-61(51-18-5-2-6-19-51)26-15-29-67(68)69(56-41-36-49(37-42-56)53-38-45-60-54(46-53)31-30-52-20-7-8-21-58(52)60)55-39-32-47(33-40-55)48-34-43-57(44-35-48)70-65-27-13-11-23-62(65)63-24-12-14-28-66(63)70/h1-46H
InChIKeyWBGAZRFMYQRQJR-UHFFFAOYSA-N
MW891.13 g/mol
LogP18.89
Rot. Bonds9

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

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168790793) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168790793
Molecular FormulaC68H46N2
Molecular Weight891.13 g/mol
Exact Mass890.37
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C68H46N2/c1-3-16-50(17-4-1)59-22-9-10-25-64(59)68-61(51-18-5-2-6-19-51)26-15-29-67(68)69(56-41-36-49(37-42-56)53-38-45-60-54(46-53)31-30-52-20-7-8-21-58(52)60)55-39-32-47(33-40-55)48-34-43-57(44-35-48)70-65-27-13-11-23-62(65)63-24-12-14-28-66(63)70/h1-46H
InChIKeyWBGAZRFMYQRQJR-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-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168790813
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789636
N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790590
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501114
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 168790882
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168789420
N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168789388
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168788660

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168790793) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is WBGAZRFMYQRQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-3-16-50(17-4-1)59-22-9-10-25-64(59)68-61(51-18-5-2-6-19-51)26-15-29-67(68)69(56-41-36-49(37-42-56)53-38-45-60-54(46-53)31-30-52-20-7-8-21-58(52)60)55-39-32-47(33-40-55)48-34-43-57(44-35-48)70-65-27-13-11-23-62(65)63-24-12-14-28-66(63)70/h1-46H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)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-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168790793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).