2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene

C31H22N2 — CID 132850896

IUPAC2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene
SMILESC1=C(c2ccccc2)c2[nH]c3ccccc3c2C(c2ccccc2)c2c1[nH]c1ccccc21
InChIInChI=1S/C31H22N2/c1-3-11-20(12-4-1)24-19-27-29(22-15-7-9-17-25(22)32-27)28(21-13-5-2-6-14-21)30-23-16-8-10-18-26(23)33-31(24)30/h1-19,28,32-33H
InChIKeyAYFMSANMOOWIDW-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.73
Rot. Bonds2

About 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene

2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene (PubChem CID 132850896) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene.

Molecular Properties

Compound Name2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene
PubChem CID132850896
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene
SMILESC1=C(c2ccccc2)c2[nH]c3ccccc3c2C(c2ccccc2)c2c1[nH]c1ccccc21
InChIInChI=1S/C31H22N2/c1-3-11-20(12-4-1)24-19-27-29(22-15-7-9-17-25(22)32-27)28(21-13-5-2-6-14-21)30-23-16-8-10-18-26(23)33-31(24)30/h1-19,28,32-33H
InChIKeyAYFMSANMOOWIDW-UHFFFAOYSA-N
XLogP7.73
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene with MolForge

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Related Compounds

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CID 56650843
11,30-bis(4-methylphenyl)-3,19,22,38-tetrazanonacyclo[29.7.0.02,10.04,9.012,20.013,18.021,29.023,28.032,37]octatriaconta-1(31),2(10),4,6,8,12(20),13,15,17,21(29),23,25,27,32,34,36-hexadecaene
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1,3-dimethyl-10-phenyl-5,10-dihydroindeno[1,2-b]indole
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2-methyl-5,9-diphenyl-6-oxa-11-azatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),3(7),4,8,12,14,16-heptaene
CID 56651516
11,30-bis(4-methylphenyl)-3,19,22,38-tetrazanonacyclo[29.7.0.02,10.04,9.012,20.013,18.021,29.023,28.032,37]octatriaconta-1(31),2(10),4,6,8,12(20),13,15,17,21(29),23,25,27,32,34,36-hexadecaene;methylsulfinylmethane
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Frequently Asked Questions

What is the IUPAC name of 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene?
The IUPAC name of 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene (CID 132850896) is 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene.
What is the SMILES notation for 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene?
The canonical SMILES for 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene is C1=C(c2ccccc2)c2[nH]c3ccccc3c2C(c2ccccc2)c2c1[nH]c1ccccc21.
What is the InChIKey of 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene?
The InChIKey is AYFMSANMOOWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-3-11-20(12-4-1)24-19-27-29(22-15-7-9-17-25(22)32-27)28(21-13-5-2-6-14-21)30-23-16-8-10-18-26(23)33-31(24)30/h1-19,28,32-33H.
What are the key properties of 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene?
2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene has a molecular weight of 422.53 g/mol, XLogP of 7.73, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene is sourced from PubChem (CID 132850896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).