7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C34H20N4S — CID 138639571

IUPAC7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)sc2c(-n3c5ccccc5c5ccccc53)ncnc24)cc1
InChIInChI=1S/C34H20N4S/c1-2-10-21(11-3-1)37-27-17-9-6-14-24(27)30-28(37)18-19-29-31(30)32-33(39-29)34(36-20-35-32)38-25-15-7-4-12-22(25)23-13-5-8-16-26(23)38/h1-20H
InChIKeyDCAKASMWXMMXNH-UHFFFAOYSA-N
MW516.63 g/mol
LogP9.04
Rot. Bonds2

About 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 138639571) has the molecular formula C34H20N4S and a molecular weight of 516.63 g/mol. Its IUPAC name is 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID138639571
Molecular FormulaC34H20N4S
Molecular Weight516.63 g/mol
Exact Mass516.14
IUPAC Name7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)sc2c(-n3c5ccccc5c5ccccc53)ncnc24)cc1
InChIInChI=1S/C34H20N4S/c1-2-10-21(11-3-1)37-27-17-9-6-14-24(27)30-28(37)18-19-29-31(30)32-33(39-29)34(36-20-35-32)38-25-15-7-4-12-22(25)23-13-5-8-16-26(23)38/h1-20H
InChIKeyDCAKASMWXMMXNH-UHFFFAOYSA-N
XLogP9.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

4-[14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 122598874
7-carbazol-9-yl-9,20-dithia-4,6-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640669
7-carbazol-9-yl-20-phenyl-9-thia-6,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640766
2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167453282
4,8-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine;8-carbazol-9-yl-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine;8-carbazol-9-yl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine;8-carbazol-9-yl-4-[4-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 157309657
9-phenyl-14-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 177278750
2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzothiolo[3,2-e][1,3]benzoxazole
CID 167453216
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
5-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 159090253
2-phenyl-4-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 138639864
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 138639571) is 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)sc2c(-n3c5ccccc5c5ccccc53)ncnc24)cc1.
What is the InChIKey of 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is DCAKASMWXMMXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4S/c1-2-10-21(11-3-1)37-27-17-9-6-14-24(27)30-28(37)18-19-29-31(30)32-33(39-29)34(36-20-35-32)38-25-15-7-4-12-22(25)23-13-5-8-16-26(23)38/h1-20H.
What are the key properties of 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 516.63 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-14-phenyl-9-thia-4,6,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 138639571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).