1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine

C27H24N2 — CID 162283619

IUPAC1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine
SMILESCN(C1=CC=C2C=CC=C3C=CC(N(C)c4ccccc4)=C1C32)c1ccccc1
InChIInChI=1S/C27H24N2/c1-28(22-12-5-3-6-13-22)24-18-16-20-10-9-11-21-17-19-25(27(24)26(20)21)29(2)23-14-7-4-8-15-23/h3-19,26H,1-2H3
InChIKeyKKJAYMKYYUMKCR-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.02
Rot. Bonds4

About 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine

1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine (PubChem CID 162283619) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine.

Molecular Properties

Compound Name1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine
PubChem CID162283619
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine
SMILESCN(C1=CC=C2C=CC=C3C=CC(N(C)c4ccccc4)=C1C32)c1ccccc1
InChIInChI=1S/C27H24N2/c1-28(22-12-5-3-6-13-22)24-18-16-20-10-9-11-21-17-19-25(27(24)26(20)21)29(2)23-14-7-4-8-15-23/h3-19,26H,1-2H3
InChIKeyKKJAYMKYYUMKCR-UHFFFAOYSA-N
XLogP6.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122448830
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Frequently Asked Questions

What is the IUPAC name of 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine?
The IUPAC name of 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine (CID 162283619) is 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine.
What is the SMILES notation for 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine?
The canonical SMILES for 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine is CN(C1=CC=C2C=CC=C3C=CC(N(C)c4ccccc4)=C1C32)c1ccccc1.
What is the InChIKey of 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine?
The InChIKey is KKJAYMKYYUMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-28(22-12-5-3-6-13-22)24-18-16-20-10-9-11-21-17-19-25(27(24)26(20)21)29(2)23-14-7-4-8-15-23/h3-19,26H,1-2H3.
What are the key properties of 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine?
1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine has a molecular weight of 376.50 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine is sourced from PubChem (CID 162283619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).