3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole

C43H29N3S — CID 118449167

IUPAC3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(C3NN(n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7sc6c54)c4ccccc43)cc2)cc1
InChIInChI=1S/C43H29N3S/c1-3-11-28(12-4-1)30-19-21-31(22-20-30)41-36-16-7-9-17-39(36)46(44-41)45-38-26-23-32(29-13-5-2-6-14-29)27-37(38)34-24-25-35-33-15-8-10-18-40(33)47-43(35)42(34)45/h1-27,41,44H
InChIKeyBZXOYBUBHIKERR-UHFFFAOYSA-N
MW619.79 g/mol
LogP11.37
Rot. Bonds4

About 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole

3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 118449167) has the molecular formula C43H29N3S and a molecular weight of 619.79 g/mol. Its IUPAC name is 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID118449167
Molecular FormulaC43H29N3S
Molecular Weight619.79 g/mol
Exact Mass619.21
IUPAC Name3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(C3NN(n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7sc6c54)c4ccccc43)cc2)cc1
InChIInChI=1S/C43H29N3S/c1-3-11-28(12-4-1)30-19-21-31(22-20-30)41-36-16-7-9-17-39(36)46(44-41)45-38-26-23-32(29-13-5-2-6-14-29)27-37(38)34-24-25-35-33-15-8-10-18-40(33)47-43(35)42(34)45/h1-27,41,44H
InChIKeyBZXOYBUBHIKERR-UHFFFAOYSA-N
XLogP11.37
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.79
LogP ≤ 511.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580350
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243897
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole (CID 118449167) is 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccc(C3NN(n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7sc6c54)c4ccccc43)cc2)cc1.
What is the InChIKey of 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is BZXOYBUBHIKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3S/c1-3-11-28(12-4-1)30-19-21-31(22-20-30)41-36-16-7-9-17-39(36)46(44-41)45-38-26-23-32(29-13-5-2-6-14-29)27-37(38)34-24-25-35-33-15-8-10-18-40(33)47-43(35)42(34)45/h1-27,41,44H.
What are the key properties of 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole?
3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 619.79 g/mol, XLogP of 11.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-12-[3-(4-phenylphenyl)-2,3-dihydroindazol-1-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 118449167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).