2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine

C43H32N2 — CID 59793119

IUPAC2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
SMILESCc1ccc2c(c1)c(N(c1ccccc1)c1ccccc1)cc1c3ccccc3c(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C43H32N2/c1-31-26-27-37-40-29-42(44(32-16-6-2-7-17-32)33-18-8-3-9-19-33)38-25-15-14-24-36(38)39(40)30-43(41(37)28-31)45(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-30H,1H3
InChIKeyLPNJXTZCBSXDNH-UHFFFAOYSA-N
MW576.74 g/mol
LogP12.39
Rot. Bonds6

About 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine

2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine (PubChem CID 59793119) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine.

Molecular Properties

Compound Name2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
PubChem CID59793119
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
SMILESCc1ccc2c(c1)c(N(c1ccccc1)c1ccccc1)cc1c3ccccc3c(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C43H32N2/c1-31-26-27-37-40-29-42(44(32-16-6-2-7-17-32)33-18-8-3-9-19-33)38-25-15-14-24-36(38)39(40)30-43(41(37)28-31)45(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-30H,1H3
InChIKeyLPNJXTZCBSXDNH-UHFFFAOYSA-N
XLogP12.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 512.39
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

ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
5-N-[3,7-dimethyl-5-(N-phenylanilino)naphthalen-1-yl]-3,7-dimethyl-1-N,1-N,5-N-triphenylnaphthalene-1,5-diamine
CID 20754054
9-N,9-N,20-N,20-N-tetrakis(4-methylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene-9,20-diamine
CID 59805356
N,N-bis(3-methylphenyl)chrysen-6-amine
CID 23520689
6-N,12-N-bis(4-dibenzothiophen-4-ylphenyl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 58461928
N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 158655750
2,7-dimethyltriphenylene
CID 23261750
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
N-(4-methylphenyl)-12-[(4-methylphenyl)-phenylmethyl]-N-phenylchrysen-6-amine
CID 139496392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
The IUPAC name of 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine (CID 59793119) is 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine.
What is the SMILES notation for 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
The canonical SMILES for 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine is Cc1ccc2c(c1)c(N(c1ccccc1)c1ccccc1)cc1c3ccccc3c(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
The InChIKey is LPNJXTZCBSXDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-31-26-27-37-40-29-42(44(32-16-6-2-7-17-32)33-18-8-3-9-19-33)38-25-15-14-24-36(38)39(40)30-43(41(37)28-31)45(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-30H,1H3.
What are the key properties of 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine has a molecular weight of 576.74 g/mol, XLogP of 12.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine is sourced from PubChem (CID 59793119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).