6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole

C115H75N7OS — CID 160780401

IUPAC6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole
SMILESCn1c2ccccc2c2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6sc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C39H27N3.C38H24N2O.C38H24N2S/c1-40-34-18-10-9-17-31(34)38-33-25-27(21-23-37(33)42(39(38)40)29-14-6-3-7-15-29)26-20-22-36-32(24-26)30-16-8-11-19-35(30)41(36)28-12-4-2-5-13-28;2*1-3-11-27(12-4-1)39-33-17-9-7-15-29(33)31-23-25(19-21-34(31)39)26-20-22-35-32(24-26)37-30-16-8-10-18-36(30)41-38(37)40(35)28-13-5-2-6-14-28/h2-25H,1H3;2*1-24H
InChIKeySAMPSMACDQKFNU-UHFFFAOYSA-N
MW1602.98 g/mol
LogP31.10
Rot. Bonds9

About 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole

6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole (PubChem CID 160780401) has the molecular formula C115H75N7OS and a molecular weight of 1602.98 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole.

Molecular Properties

Compound Name6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole
PubChem CID160780401
Molecular FormulaC115H75N7OS
Molecular Weight1602.98 g/mol
Exact Mass1601.58
IUPAC Name6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole
SMILESCn1c2ccccc2c2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6sc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C39H27N3.C38H24N2O.C38H24N2S/c1-40-34-18-10-9-17-31(34)38-33-25-27(21-23-37(33)42(39(38)40)29-14-6-3-7-15-29)26-20-22-36-32(24-26)30-16-8-11-19-35(30)41(36)28-12-4-2-5-13-28;2*1-3-11-27(12-4-1)39-33-17-9-7-15-29(33)31-23-25(19-21-34(31)39)26-20-22-35-32(24-26)37-30-16-8-10-18-36(30)41-38(37)40(35)28-13-5-2-6-14-28/h2-25H,1H3;2*1-24H
InChIKeySAMPSMACDQKFNU-UHFFFAOYSA-N
XLogP31.10
TPSA47.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001602.98
LogP ≤ 531.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole?
The IUPAC name of 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole (CID 160780401) is 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole.
What is the SMILES notation for 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole?
The canonical SMILES for 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole is Cn1c2ccccc2c2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6sc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole?
The InChIKey is SAMPSMACDQKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3.C38H24N2O.C38H24N2S/c1-40-34-18-10-9-17-31(34)38-33-25-27(21-23-37(33)42(39(38)40)29-14-6-3-7-15-29)26-20-22-36-32(24-26)30-16-8-11-19-35(30)41(36)28-12-4-2-5-13-28;2*1-3-11-27(12-4-1)39-33-17-9-7-15-29(33)31-23-25(19-21-34(31)39)26-20-22-35-32(24-26)37-30-16-8-10-18-36(30)41-38(37)40(35)28-13-5-2-6-14-28/h2-25H,1H3;2*1-24H.
What are the key properties of 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole?
6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole has a molecular weight of 1602.98 g/mol, XLogP of 31.10, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-phenyl-9-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]indole is sourced from PubChem (CID 160780401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).