N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine

C60H40N2 — CID 169065018

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H40N2/c1-4-18-43(19-5-1)59-54-28-13-12-26-50(54)51-37-33-45(39-55(51)60(59)44-20-6-2-7-21-44)41-31-34-47(35-32-41)61(46-23-8-3-9-24-46)48-36-38-53-52-27-14-15-29-57(52)62(58(53)40-48)56-30-16-22-42-17-10-11-25-49(42)56/h1-40H
InChIKeyGPCPBYIHCCGUJV-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine (PubChem CID 169065018) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
PubChem CID169065018
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H40N2/c1-4-18-43(19-5-1)59-54-28-13-12-26-50(54)51-37-33-45(39-55(51)60(59)44-20-6-2-7-21-44)41-31-34-47(35-32-41)61(46-23-8-3-9-24-46)48-36-38-53-52-27-14-15-29-57(52)62(58(53)40-48)56-30-16-22-42-17-10-11-25-49(42)56/h1-40H
InChIKeyGPCPBYIHCCGUJV-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

N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169062114
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
CID 169062013
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine
CID 169063057
9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,7-diphenylcarbazol-2-amine
CID 146573551
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 169062083
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 145362204
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085104
3-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 169063013

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine (CID 169065018) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
The InChIKey is GPCPBYIHCCGUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-18-43(19-5-1)59-54-28-13-12-26-50(54)51-37-33-45(39-55(51)60(59)44-20-6-2-7-21-44)41-31-34-47(35-32-41)61(46-23-8-3-9-24-46)48-36-38-53-52-27-14-15-29-57(52)62(58(53)40-48)56-30-16-22-42-17-10-11-25-49(42)56/h1-40H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-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-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine is sourced from PubChem (CID 169065018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).