6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine

C43H32N2 — CID 90054750

IUPAC6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine
SMILESCC1(c2ccccc2)CN(c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)c2ccccc21
InChIInChI=1S/C43H32N2/c1-43(32-13-5-2-6-14-32)29-44(40-20-12-11-19-37(40)43)38-27-23-30-22-26-36-39(28-24-31-21-25-35(38)41(30)42(31)36)45(33-15-7-3-8-16-33)34-17-9-4-10-18-34/h2-28H,29H2,1H3
InChIKeyGLKIJQRFKHWHGB-UHFFFAOYSA-N
MW576.74 g/mol
LogP11.51
Rot. Bonds5

About 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine

6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine (PubChem CID 90054750) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine.

Molecular Properties

Compound Name6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine
PubChem CID90054750
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine
SMILESCC1(c2ccccc2)CN(c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)c2ccccc21
InChIInChI=1S/C43H32N2/c1-43(32-13-5-2-6-14-32)29-44(40-20-12-11-19-37(40)43)38-27-23-30-22-26-36-39(28-24-31-21-25-35(38)41(30)42(31)36)45(33-15-7-3-8-16-33)34-17-9-4-10-18-34/h2-28H,29H2,1H3
InChIKeyGLKIJQRFKHWHGB-UHFFFAOYSA-N
XLogP11.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.51
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-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine
CID 90054753
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine
CID 90055282
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
CID 58233592
1-N,1-N-bis(3,5-dimethylphenyl)-6-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 126743874
4-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]-N,N-diphenylnaphthalen-1-amine
CID 90054762
1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 58233528
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
1-N,6-N-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58322160
10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
CID 58489773
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine?
The IUPAC name of 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine (CID 90054750) is 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine.
What is the SMILES notation for 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine?
The canonical SMILES for 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine is CC1(c2ccccc2)CN(c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)c2ccccc21.
What is the InChIKey of 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine?
The InChIKey is GLKIJQRFKHWHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-43(32-13-5-2-6-14-32)29-44(40-20-12-11-19-37(40)43)38-27-23-30-22-26-36-39(28-24-31-21-25-35(38)41(30)42(31)36)45(33-15-7-3-8-16-33)34-17-9-4-10-18-34/h2-28H,29H2,1H3.
What are the key properties of 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine?
6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine has a molecular weight of 576.74 g/mol, XLogP of 11.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-3-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine is sourced from PubChem (CID 90054750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).