6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine

C40H28N2 — CID 90055282

IUPAC6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(N5CCc6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C40H28N2/c1-2-11-32(12-3-1)42(33-19-14-27-8-4-5-10-31(27)26-33)38-23-18-30-15-20-34-37(41-25-24-28-9-6-7-13-36(28)41)22-17-29-16-21-35(38)40(30)39(29)34/h1-23,26H,24-25H2
InChIKeyJYSPETZNUAVVNE-UHFFFAOYSA-N
MW536.68 g/mol
LogP10.90
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine

6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine (PubChem CID 90055282) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine
PubChem CID90055282
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(N5CCc6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C40H28N2/c1-2-11-32(12-3-1)42(33-19-14-27-8-4-5-10-31(27)26-33)38-23-18-30-15-20-34-37(41-25-24-28-9-6-7-13-36(28)41)22-17-29-16-21-35(38)40(30)39(29)34/h1-23,26H,24-25H2
InChIKeyJYSPETZNUAVVNE-UHFFFAOYSA-N
XLogP10.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.90
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

6-(2,3-dihydroindol-1-yl)-N-(2-fluoro-4-naphthalen-2-ylphenyl)-N-phenylpyren-1-amine
CID 90054782
4-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]-N,N-diphenylnaphthalen-1-amine
CID 90054762
9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 89060944
4-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]-4-fluoroanilino)benzonitrile;ethane
CID 144777433
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
6-(2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]anilino)benzonitrile;6-fluoro-1-[6-(6-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;6-(6-isocyano-2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;1-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-6-carbonitrile
CID 158281567
6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine
CID 90054750
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane
CID 123393232

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine (CID 90055282) is 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(N5CCc6ccccc65)ccc5ccc2c3c54)cc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine?
The InChIKey is JYSPETZNUAVVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-2-11-32(12-3-1)42(33-19-14-27-8-4-5-10-31(27)26-33)38-23-18-30-15-20-34-37(41-25-24-28-9-6-7-13-36(28)41)22-17-29-16-21-35(38)40(30)39(29)34/h1-23,26H,24-25H2.
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine?
6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine has a molecular weight of 536.68 g/mol, XLogP of 10.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine is sourced from PubChem (CID 90055282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).