N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine

C35H33N — CID 123864689

IUPACN,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4c(c(C)cc3c3ccccc23)=CCCC=4)cc1C
InChIInChI=1S/C35H33N/c1-22-14-16-27(18-24(22)3)36(28-17-15-23(2)25(4)19-28)35-21-34-30-11-7-6-10-29(30)26(5)20-33(34)31-12-8-9-13-32(31)35/h8-21H,6-7H2,1-5H3
InChIKeyWRMSOGNWYDTDLR-UHFFFAOYSA-N
MW467.66 g/mol
LogP8.36
Rot. Bonds3

About N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine

N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine (PubChem CID 123864689) has the molecular formula C35H33N and a molecular weight of 467.66 g/mol. Its IUPAC name is N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine.

Molecular Properties

Compound NameN,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine
PubChem CID123864689
Molecular FormulaC35H33N
Molecular Weight467.66 g/mol
Exact Mass467.26
IUPAC NameN,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4c(c(C)cc3c3ccccc23)=CCCC=4)cc1C
InChIInChI=1S/C35H33N/c1-22-14-16-27(18-24(22)3)36(28-17-15-23(2)25(4)19-28)35-21-34-30-11-7-6-10-29(30)26(5)20-33(34)31-12-8-9-13-32(31)35/h8-21H,6-7H2,1-5H3
InChIKeyWRMSOGNWYDTDLR-UHFFFAOYSA-N
XLogP8.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-dinaphthalen-2-ylchrysene-6,12-diamine
CID 59515013
9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine
CID 157352445
2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine
CID 59793136
12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine
CID 159982516
12-methyl-2,3-dihydrochrysene
CID 91327543
ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
9-N,15-N-bis(3,4-dimethylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738150
6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360251
6-N-(4-methylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098964
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
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
[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 155273417

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine?
The IUPAC name of N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine (CID 123864689) is N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine.
What is the SMILES notation for N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine?
The canonical SMILES for N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine is Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4c(c(C)cc3c3ccccc23)=CCCC=4)cc1C.
What is the InChIKey of N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine?
The InChIKey is WRMSOGNWYDTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N/c1-22-14-16-27(18-24(22)3)36(28-17-15-23(2)25(4)19-28)35-21-34-30-11-7-6-10-29(30)26(5)20-33(34)31-12-8-9-13-32(31)35/h8-21H,6-7H2,1-5H3.
What are the key properties of N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine?
N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine has a molecular weight of 467.66 g/mol, XLogP of 8.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine is sourced from PubChem (CID 123864689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).