9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine

C38H30N2 — CID 160658428

IUPAC9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine
SMILESC1=CC2C(N(c3ccccc3)c3ccccc3)=c3ccccc3=C(N(c3ccccc3)c3ccccc3)C2C=C1
InChIInChI=1S/C38H30N2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,33,35H
InChIKeyYOBJPSHYIFLENE-UHFFFAOYSA-N
MW514.67 g/mol
LogP7.95
Rot. Bonds6

About 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine (PubChem CID 160658428) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine
PubChem CID160658428
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine
SMILESC1=CC2C(N(c3ccccc3)c3ccccc3)=c3ccccc3=C(N(c3ccccc3)c3ccccc3)C2C=C1
InChIInChI=1S/C38H30N2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,33,35H
InChIKeyYOBJPSHYIFLENE-UHFFFAOYSA-N
XLogP7.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine (CID 160658428) is 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine is C1=CC2C(N(c3ccccc3)c3ccccc3)=c3ccccc3=C(N(c3ccccc3)c3ccccc3)C2C=C1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine?
The InChIKey is YOBJPSHYIFLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,33,35H.
What are the key properties of 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine has a molecular weight of 514.67 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,10-N,10-N-tetraphenyl-4a,9a-dihydroanthracene-9,10-diamine is sourced from PubChem (CID 160658428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).