9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine

C29H26N2 — CID 59806582

IUPAC9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine
SMILESCc1ccc2c(c1)c(N(C)c1ccccc1)c(N(C)c1ccccc1)c1ccccc12
InChIInChI=1S/C29H26N2/c1-21-18-19-25-24-16-10-11-17-26(24)28(30(2)22-12-6-4-7-13-22)29(27(25)20-21)31(3)23-14-8-5-9-15-23/h4-20H,1-3H3
InChIKeyMVMAPESIHYKLRK-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.84
Rot. Bonds4

About 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine

9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine (PubChem CID 59806582) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine
PubChem CID59806582
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC Name9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine
SMILESCc1ccc2c(c1)c(N(C)c1ccccc1)c(N(C)c1ccccc1)c1ccccc12
InChIInChI=1S/C29H26N2/c1-21-18-19-25-24-16-10-11-17-26(24)28(30(2)22-12-6-4-7-13-22)29(27(25)20-21)31(3)23-14-8-5-9-15-23/h4-20H,1-3H3
InChIKeyMVMAPESIHYKLRK-UHFFFAOYSA-N
XLogP7.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethyltriphenylene
CID 23261750
2,3,6-trimethyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372305
9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372255
ethane;2-methyltriphenylene
CID 91569125
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 59793119
N-methyl-N-phenylanthracen-9-amine
CID 22944738
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
CID 20734448
2,9,10-trimethylphenanthrene
CID 11345039
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 59372269
6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 86226207
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine?
The IUPAC name of 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine (CID 59806582) is 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine.
What is the SMILES notation for 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine?
The canonical SMILES for 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine is Cc1ccc2c(c1)c(N(C)c1ccccc1)c(N(C)c1ccccc1)c1ccccc12.
What is the InChIKey of 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine?
The InChIKey is MVMAPESIHYKLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2/c1-21-18-19-25-24-16-10-11-17-26(24)28(30(2)22-12-6-4-7-13-22)29(27(25)20-21)31(3)23-14-8-5-9-15-23/h4-20H,1-3H3.
What are the key properties of 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine?
9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine has a molecular weight of 402.54 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine is sourced from PubChem (CID 59806582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).