N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine

C60H40N2 — CID 167322744

IUPACN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H40N2/c1-3-18-51-42(13-1)15-12-23-53(51)44-31-35-49(36-32-44)61(50-37-38-54-47(40-50)28-27-43-14-2-4-19-52(43)54)48-33-29-41(30-34-48)45-16-11-17-46(39-45)55-20-5-8-24-58(55)62-59-25-9-6-21-56(59)57-22-7-10-26-60(57)62/h1-40H
InChIKeyAGLGDOCBRLCKKV-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine (PubChem CID 167322744) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
PubChem CID167322744
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H40N2/c1-3-18-51-42(13-1)15-12-23-53(51)44-31-35-49(36-32-44)61(50-37-38-54-47(40-50)28-27-43-14-2-4-19-52(43)54)48-33-29-41(30-34-48)45-16-11-17-46(39-45)55-20-5-8-24-58(55)62-59-25-9-6-21-56(59)57-22-7-10-26-60(57)62/h1-40H
InChIKeyAGLGDOCBRLCKKV-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.71
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

4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 167322421
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 174309818
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322341
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167322214
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-2-amine
CID 139545045
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine (CID 167322744) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine is c1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
The InChIKey is AGLGDOCBRLCKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-3-18-51-42(13-1)15-12-23-53(51)44-31-35-49(36-32-44)61(50-37-38-54-47(40-50)28-27-43-14-2-4-19-52(43)54)48-33-29-41(30-34-48)45-16-11-17-46(39-45)55-20-5-8-24-58(55)62-59-25-9-6-21-56(59)57-22-7-10-26-60(57)62/h1-40H.
What are the key properties of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine?
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine has a molecular weight of 788.99 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167322744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).