9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine

C54H40N2 — CID 134217242

IUPAC9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine
SMILESCCn1c2ccc(C(Cc3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc21
InChIInChI=1S/C54H40N2/c1-2-55-50-30-27-41(47(33-36-13-5-3-6-14-36)45-22-12-16-37-15-9-10-21-44(37)45)34-48(50)49-35-43(28-32-51(49)55)56(42-19-7-4-8-20-42)52-31-26-40-24-23-38-17-11-18-39-25-29-46(52)54(40)53(38)39/h3-32,34-35,47H,2,33H2,1H3
InChIKeyNVEPMFWISSOIBI-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.71
Rot. Bonds8

About 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine

9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine (PubChem CID 134217242) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine
PubChem CID134217242
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine
SMILESCCn1c2ccc(C(Cc3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc21
InChIInChI=1S/C54H40N2/c1-2-55-50-30-27-41(47(33-36-13-5-3-6-14-36)45-22-12-16-37-15-9-10-21-44(37)45)34-48(50)49-35-43(28-32-51(49)55)56(42-19-7-4-8-20-42)52-31-26-40-24-23-38-17-11-18-39-25-29-46(52)54(40)53(38)39/h3-32,34-35,47H,2,33H2,1H3
InChIKeyNVEPMFWISSOIBI-UHFFFAOYSA-N
XLogP14.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.71
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

9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 53433854
N-[4-[4-(1-naphthalen-1-yl-2-phenylethyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143944265
9-ethyl-3-N-[5-[2-methyl-4-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 134387493
9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 130271558
3-N-[5-(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-yl)pyren-1-yl]-9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 138701548
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
9-(9,9-diethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine
CID 101142979
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine?
The IUPAC name of 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine (CID 134217242) is 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine.
What is the SMILES notation for 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine?
The canonical SMILES for 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine is CCn1c2ccc(C(Cc3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc21.
What is the InChIKey of 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine?
The InChIKey is NVEPMFWISSOIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-2-55-50-30-27-41(47(33-36-13-5-3-6-14-36)45-22-12-16-37-15-9-10-21-44(37)45)34-48(50)49-35-43(28-32-51(49)55)56(42-19-7-4-8-20-42)52-31-26-40-24-23-38-17-11-18-39-25-29-46(52)54(40)53(38)39/h3-32,34-35,47H,2,33H2,1H3.
What are the key properties of 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine?
9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine has a molecular weight of 716.93 g/mol, XLogP of 14.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-(1-naphthalen-1-yl-2-phenylethyl)-N-phenyl-N-pyren-1-ylcarbazol-3-amine is sourced from PubChem (CID 134217242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).