7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene

C37H36N2 — CID 143792520

IUPAC7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene
SMILESCc1cc2c3c(c1)C(C)(C)C1N(c4ccccc4)C(c4ccccc4)=C(c4cc(C5CCCCC5)ccc4-2)N31
InChIInChI=1S/C37H36N2/c1-24-21-30-29-20-19-27(25-13-7-4-8-14-25)23-31(29)35-33(26-15-9-5-10-16-26)38(28-17-11-6-12-18-28)36-37(2,3)32(22-24)34(30)39(35)36/h5-6,9-12,15-23,25,36H,4,7-8,13-14H2,1-3H3
InChIKeyOWCAAIYYEVRBGH-UHFFFAOYSA-N
MW508.71 g/mol
LogP9.49
Rot. Bonds3

About 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene

7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene (PubChem CID 143792520) has the molecular formula C37H36N2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene.

Molecular Properties

Compound Name7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene
PubChem CID143792520
Molecular FormulaC37H36N2
Molecular Weight508.71 g/mol
Exact Mass508.29
IUPAC Name7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene
SMILESCc1cc2c3c(c1)C(C)(C)C1N(c4ccccc4)C(c4ccccc4)=C(c4cc(C5CCCCC5)ccc4-2)N31
InChIInChI=1S/C37H36N2/c1-24-21-30-29-20-19-27(25-13-7-4-8-14-25)23-31(29)35-33(26-15-9-5-10-16-26)38(28-17-11-6-12-18-28)36-37(2,3)32(22-24)34(30)39(35)36/h5-6,9-12,15-23,25,36H,4,7-8,13-14H2,1-3H3
InChIKeyOWCAAIYYEVRBGH-UHFFFAOYSA-N
XLogP9.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene with MolForge

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Related Compounds

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7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
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CID 150910002
N-tert-butyl-7-cyclohexyl-3,9,9-trimethyl-N-(2-methyl-5-phenylphenyl)fluoren-2-amine;N-tert-butyl-7-fluoro-3,9,9-trimethyl-N-(2-methyl-5-phenylphenyl)fluoren-2-amine;N-tert-butyl-3,9,9-trimethyl-N-(2-methyl-5-phenylphenyl)-7-phenylfluoren-2-amine
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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene?
The IUPAC name of 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene (CID 143792520) is 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene.
What is the SMILES notation for 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene?
The canonical SMILES for 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene is Cc1cc2c3c(c1)C(C)(C)C1N(c4ccccc4)C(c4ccccc4)=C(c4cc(C5CCCCC5)ccc4-2)N31.
What is the InChIKey of 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene?
The InChIKey is OWCAAIYYEVRBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2/c1-24-21-30-29-20-19-27(25-13-7-4-8-14-25)23-31(29)35-33(26-15-9-5-10-16-26)38(28-17-11-6-12-18-28)36-37(2,3)32(22-24)34(30)39(35)36/h5-6,9-12,15-23,25,36H,4,7-8,13-14H2,1-3H3.
What are the key properties of 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene?
7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene has a molecular weight of 508.71 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-13,18,18-trimethyl-2,3-diphenyl-2,17-diazapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-3,5(10),6,8,11(16),12,14-heptaene is sourced from PubChem (CID 143792520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).