8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C31H19N3S — CID 118104800

IUPAC8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ncccc5c5c6ccccc6sc54)ccc32)cc1
InChIInChI=1S/C31H19N3S/c1-2-9-20(10-3-1)33-26-14-6-4-11-22(26)25-19-21(16-17-27(25)33)34-30-24(13-8-18-32-30)29-23-12-5-7-15-28(23)35-31(29)34/h1-19H
InChIKeyRKLOKVAAFDUZHZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP8.49
Rot. Bonds2

About 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 118104800) has the molecular formula C31H19N3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

Compound Name8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
PubChem CID118104800
Molecular FormulaC31H19N3S
Molecular Weight465.58 g/mol
Exact Mass465.13
IUPAC Name8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ncccc5c5c6ccccc6sc54)ccc32)cc1
InChIInChI=1S/C31H19N3S/c1-2-9-20(10-3-1)33-26-14-6-4-11-22(26)25-19-21(16-17-27(25)33)34-30-24(13-8-18-32-30)29-23-12-5-7-15-28(23)35-31(29)34/h1-19H
InChIKeyRKLOKVAAFDUZHZ-UHFFFAOYSA-N
XLogP8.49
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene with MolForge

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Related Compounds

6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole
CID 165168817
6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
CID 146631702
9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
9-[3-(3-carbazol-9-ylphenyl)phenyl]-20-thia-7,9-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 139575247
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
9-phenylpyrido[2,3-b]indole
CID 15939260
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503172
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801

Frequently Asked Questions

What is the IUPAC name of 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The IUPAC name of 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 118104800) is 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.
What is the SMILES notation for 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The canonical SMILES for 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is c1ccc(-n2c3ccccc3c3cc(-n4c5ncccc5c5c6ccccc6sc54)ccc32)cc1.
What is the InChIKey of 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The InChIKey is RKLOKVAAFDUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3S/c1-2-9-20(10-3-1)33-26-14-6-4-11-22(26)25-19-21(16-17-27(25)33)34-30-24(13-8-18-32-30)29-23-12-5-7-15-28(23)35-31(29)34/h1-19H.
What are the key properties of 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 465.58 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 118104800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).