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

C56H38N2 — CID 135271748

IUPACN-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)cc3)c3cccc4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-13-39(14-4-1)41-27-32-47(33-28-41)57(55-24-12-18-44-26-25-43-17-7-8-21-50(43)56(44)55)48-34-29-42(30-35-48)46-31-36-54-52(38-46)51-22-9-10-23-53(51)58(54)49-20-11-19-45(37-49)40-15-5-2-6-16-40/h1-38H
InChIKeyMWLBASTWEOICEX-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

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

N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine (PubChem CID 135271748) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine
PubChem CID135271748
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)cc3)c3cccc4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-13-39(14-4-1)41-27-32-47(33-28-41)57(55-24-12-18-44-26-25-43-17-7-8-21-50(43)56(44)55)48-34-29-42(30-35-48)46-31-36-54-52(38-46)51-22-9-10-23-53(51)58(54)49-20-11-19-45(37-49)40-15-5-2-6-16-40/h1-38H
InChIKeyMWLBASTWEOICEX-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
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-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121311226
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(3-phenylphenyl)-4-N-[9-(3-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 177116835
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
CID 167182825
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylcarbazol-3-yl)phenyl]pyrene-1,6-diamine
CID 89491387
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine (CID 135271748) is N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)cc3)c3cccc4ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine?
The InChIKey is MWLBASTWEOICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-13-39(14-4-1)41-27-32-47(33-28-41)57(55-24-12-18-44-26-25-43-17-7-8-21-50(43)56(44)55)48-34-29-42(30-35-48)46-31-36-54-52(38-46)51-22-9-10-23-53(51)58(54)49-20-11-19-45(37-49)40-15-5-2-6-16-40/h1-38H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine?
N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine is sourced from PubChem (CID 135271748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).