10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

C35H22N4 — CID 167102507

IUPAC10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2nc4c(-c5ccccc5)nc(-c5ccccc5)nc4n32)cc1
InChIInChI=1S/C35H22N4/c1-4-12-23(13-5-1)26-20-21-30-29(22-26)27-18-10-11-19-28(27)34-37-32-31(24-14-6-2-7-15-24)36-33(38-35(32)39(30)34)25-16-8-3-9-17-25/h1-22H
InChIKeyGVBHHMKWTCZAHD-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.58
Rot. Bonds3

About 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (PubChem CID 167102507) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.

Molecular Properties

Compound Name10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
PubChem CID167102507
Molecular FormulaC35H22N4
Molecular Weight498.59 g/mol
Exact Mass498.18
IUPAC Name10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2nc4c(-c5ccccc5)nc(-c5ccccc5)nc4n32)cc1
InChIInChI=1S/C35H22N4/c1-4-12-23(13-5-1)26-20-21-30-29(22-26)27-18-10-11-19-28(27)34-37-32-31(24-14-6-2-7-15-24)36-33(38-35(32)39(30)34)25-16-8-3-9-17-25/h1-22H
InChIKeyGVBHHMKWTCZAHD-UHFFFAOYSA-N
XLogP8.58
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene with MolForge

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58038117
16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
CID 135212465
11-phenyl-9-(3-phenylcarbazol-9-yl)-10,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 163388252
7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58037752
5,15-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 168720024
3-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163388243
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole
CID 137368922
21-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 164757186
2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole
CID 169053647
N-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 58037906
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271

Frequently Asked Questions

What is the IUPAC name of 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
The IUPAC name of 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (CID 167102507) is 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.
What is the SMILES notation for 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
The canonical SMILES for 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is c1ccc(-c2ccc3c(c2)c2ccccc2c2nc4c(-c5ccccc5)nc(-c5ccccc5)nc4n32)cc1.
What is the InChIKey of 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
The InChIKey is GVBHHMKWTCZAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c1-4-12-23(13-5-1)26-20-21-30-29(22-26)27-18-10-11-19-28(27)34-37-32-31(24-14-6-2-7-15-24)36-33(38-35(32)39(30)34)25-16-8-3-9-17-25/h1-22H.
What are the key properties of 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene has a molecular weight of 498.59 g/mol, XLogP of 8.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is sourced from PubChem (CID 167102507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).