16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene

C41H27N3 — CID 164589031

IUPAC16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5cc6nc(-c7ccccc7)n(-c7ccccc7)c6cc5cc43)c2)cc1
InChIInChI=1S/C41H27N3/c1-4-13-28(14-5-1)30-17-12-20-34(23-30)43-38-22-11-10-21-35(38)36-24-31-25-37-40(27-32(31)26-39(36)43)44(33-18-8-3-9-19-33)41(42-37)29-15-6-2-7-16-29/h1-27H
InChIKeyYDNUMVITTAAIID-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.61
Rot. Bonds4

About 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene

16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene (PubChem CID 164589031) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene.

Molecular Properties

Compound Name16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
PubChem CID164589031
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5cc6nc(-c7ccccc7)n(-c7ccccc7)c6cc5cc43)c2)cc1
InChIInChI=1S/C41H27N3/c1-4-13-28(14-5-1)30-17-12-20-34(23-30)43-38-22-11-10-21-35(38)36-24-31-25-37-40(27-32(31)26-39(36)43)44(33-18-8-3-9-19-33)41(42-37)29-15-6-2-7-16-29/h1-27H
InChIKeyYDNUMVITTAAIID-UHFFFAOYSA-N
XLogP10.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[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

12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
10-(9,9-dimethylfluoren-4-yl)-16,17-diphenyl-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 164589147
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 122465672
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 159289819

Frequently Asked Questions

What is the IUPAC name of 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[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 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene (CID 164589031) is 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[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 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[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 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc5cc6nc(-c7ccccc7)n(-c7ccccc7)c6cc5cc43)c2)cc1.
What is the InChIKey of 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
The InChIKey is YDNUMVITTAAIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-4-13-28(14-5-1)30-17-12-20-34(23-30)43-38-22-11-10-21-35(38)36-24-31-25-37-40(27-32(31)26-39(36)43)44(33-18-8-3-9-19-33)41(42-37)29-15-6-2-7-16-29/h1-27H.
What are the key properties of 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene?
16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[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 561.69 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[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 164589031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).