20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

C35H22N4 — CID 159941213

IUPAC20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(nc7ccccn76)c54)ccc32)cc1
InChIInChI=1S/C35H22N4/c1-2-10-23(11-3-1)38-29-14-6-5-13-26(29)28-22-24(17-19-31(28)38)39-30-15-7-4-12-25(30)27-18-20-32-34(35(27)39)36-33-16-8-9-21-37(32)33/h1-22H
InChIKeyOAXGBKOJJBZSEI-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.68
Rot. Bonds2

About 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (PubChem CID 159941213) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
PubChem CID159941213
Molecular FormulaC35H22N4
Molecular Weight498.59 g/mol
Exact Mass498.18
IUPAC Name20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(nc7ccccn76)c54)ccc32)cc1
InChIInChI=1S/C35H22N4/c1-2-10-23(11-3-1)38-29-14-6-5-13-26(29)28-22-24(17-19-31(28)38)39-30-15-7-4-12-25(30)27-18-20-32-34(35(27)39)36-33-16-8-9-21-37(32)33/h1-22H
InChIKeyOAXGBKOJJBZSEI-UHFFFAOYSA-N
XLogP8.68
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

N'-(1-phenylethenyl)-N-(1-phenylethylidene)-3-(3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-yl)benzenecarboximidamide
CID 167096637
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 121260661
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
CID 163886824
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
10-(9-phenylcarbazol-3-yl)thieno[2,3-a]carbazole
CID 123800166

Frequently Asked Questions

What is the IUPAC name of 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The IUPAC name of 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (CID 159941213) is 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.
What is the SMILES notation for 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The canonical SMILES for 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(nc7ccccn76)c54)ccc32)cc1.
What is the InChIKey of 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The InChIKey is OAXGBKOJJBZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c1-2-10-23(11-3-1)38-29-14-6-5-13-26(29)28-22-24(17-19-31(28)38)39-30-15-7-4-12-25(30)27-18-20-32-34(35(27)39)36-33-16-8-9-21-37(32)33/h1-22H.
What are the key properties of 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene has a molecular weight of 498.59 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is sourced from PubChem (CID 159941213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).