N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

C50H34N2 — CID 59470040

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-13-35(14-4-1)36-23-28-41(29-24-36)51(50-34-39-15-7-8-18-43(39)44-19-9-10-20-45(44)50)42-30-25-37(26-31-42)38-27-32-49-47(33-38)46-21-11-12-22-48(46)52(49)40-16-5-2-6-17-40/h1-34H
InChIKeyAOJDPKCQCFFFRB-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 59470040) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID59470040
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-13-35(14-4-1)36-23-28-41(29-24-36)51(50-34-39-15-7-8-18-43(39)44-19-9-10-20-45(44)50)42-30-25-37(26-31-42)38-27-32-49-47(33-38)46-21-11-12-22-48(46)52(49)40-16-5-2-6-17-40/h1-34H
InChIKeyAOJDPKCQCFFFRB-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
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-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 167003351
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-(6-phenanthren-9-ylnaphthalen-2-yl)-N,N-diphenylaniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158840520
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylcarbazol-3-yl)phenyl]pyrene-1,6-diamine
CID 89491387

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (CID 59470040) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is AOJDPKCQCFFFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-13-35(14-4-1)36-23-28-41(29-24-36)51(50-34-39-15-7-8-18-43(39)44-19-9-10-20-45(44)50)42-30-25-37(26-31-42)38-27-32-49-47(33-38)46-21-11-12-22-48(46)52(49)40-16-5-2-6-17-40/h1-34H.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 59470040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).