10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene

C45H41N5 — CID 90223678

IUPAC10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
SMILESc1ccc(-n2ccc3cc4cc5c6ccccc6n(-c6cccc(-c7nc(C8CCCCC8)nc(C8CCCCC8)n7)c6)c5cc4cc32)cc1
InChIInChI=1S/C45H41N5/c1-4-13-30(14-5-1)43-46-44(31-15-6-2-7-16-31)48-45(47-43)33-17-12-20-37(26-33)50-40-22-11-10-21-38(40)39-27-34-25-32-23-24-49(36-18-8-3-9-19-36)41(32)28-35(34)29-42(39)50/h3,8-12,17-31H,1-2,4-7,13-16H2
InChIKeyOOAXAAXXFZZSLI-UHFFFAOYSA-N
MW651.86 g/mol
LogP11.83
Rot. Bonds5

About 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene

10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene (PubChem CID 90223678) has the molecular formula C45H41N5 and a molecular weight of 651.86 g/mol. Its IUPAC name is 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene.

Molecular Properties

Compound Name10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
PubChem CID90223678
Molecular FormulaC45H41N5
Molecular Weight651.86 g/mol
Exact Mass651.34
IUPAC Name10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
SMILESc1ccc(-n2ccc3cc4cc5c6ccccc6n(-c6cccc(-c7nc(C8CCCCC8)nc(C8CCCCC8)n7)c6)c5cc4cc32)cc1
InChIInChI=1S/C45H41N5/c1-4-13-30(14-5-1)43-46-44(31-15-6-2-7-16-31)48-45(47-43)33-17-12-20-37(26-33)50-40-22-11-10-21-38(40)39-27-34-25-32-23-24-49(36-18-8-3-9-19-36)41(32)28-35(34)29-42(39)50/h3,8-12,17-31H,1-2,4-7,13-16H2
InChIKeyOOAXAAXXFZZSLI-UHFFFAOYSA-N
XLogP11.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.86
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene with MolForge

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Related Compounds

10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223606
18-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90223402
10-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223665
18-phenyl-10-(3-pyridin-4-ylphenyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222805
16-phenyl-10-(3-pyridin-4-ylphenyl)-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223553
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-10-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90223365
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
18-phenyl-10-(5-phenylpyrimidin-2-yl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222785
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
The IUPAC name of 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene (CID 90223678) is 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene.
What is the SMILES notation for 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
The canonical SMILES for 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene is c1ccc(-n2ccc3cc4cc5c6ccccc6n(-c6cccc(-c7nc(C8CCCCC8)nc(C8CCCCC8)n7)c6)c5cc4cc32)cc1.
What is the InChIKey of 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
The InChIKey is OOAXAAXXFZZSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41N5/c1-4-13-30(14-5-1)43-46-44(31-15-6-2-7-16-31)48-45(47-43)33-17-12-20-37(26-33)50-40-22-11-10-21-38(40)39-27-34-25-32-23-24-49(36-18-8-3-9-19-36)41(32)28-35(34)29-42(39)50/h3,8-12,17-31H,1-2,4-7,13-16H2.
What are the key properties of 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene has a molecular weight of 651.86 g/mol, XLogP of 11.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene is sourced from PubChem (CID 90223678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).