5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole

C37H21N3S — CID 139396945

IUPAC5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc3cccc4c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cc5c2n34)cc1
InChIInChI=1S/C37H21N3S/c1-2-9-22(10-3-1)35-36-28-21-23(17-18-24(28)29-14-8-16-33(38-35)40(29)36)39-30-13-6-4-12-27(30)34-31(39)20-19-26-25-11-5-7-15-32(25)41-37(26)34/h1-21H
InChIKeyCJEWDTAMDZFVHW-UHFFFAOYSA-N
MW539.66 g/mol
LogP10.21
Rot. Bonds2

About 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole

5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 139396945) has the molecular formula C37H21N3S and a molecular weight of 539.66 g/mol. Its IUPAC name is 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID139396945
Molecular FormulaC37H21N3S
Molecular Weight539.66 g/mol
Exact Mass539.15
IUPAC Name5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc3cccc4c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cc5c2n34)cc1
InChIInChI=1S/C37H21N3S/c1-2-9-22(10-3-1)35-36-28-21-23(17-18-24(28)29-14-8-16-33(38-35)40(29)36)39-30-13-6-4-12-27(30)34-31(39)20-19-26-25-11-5-7-15-32(25)41-37(26)34/h1-21H
InChIKeyCJEWDTAMDZFVHW-UHFFFAOYSA-N
XLogP10.21
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

9-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-24-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 139396596
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130231214
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 130265429
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
5-[3-[6-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118939041
5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226846

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole (CID 139396945) is 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc3cccc4c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cc5c2n34)cc1.
What is the InChIKey of 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is CJEWDTAMDZFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3S/c1-2-9-22(10-3-1)35-36-28-21-23(17-18-24(28)29-14-8-16-33(38-35)40(29)36)39-30-13-6-4-12-27(30)34-31(39)20-19-26-25-11-5-7-15-32(25)41-37(26)34/h1-21H.
What are the key properties of 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 539.66 g/mol, XLogP of 10.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 139396945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).