1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole

C44H34N6 — CID 58175203

IUPAC1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole
SMILESCc1c(C)n(-c2nc3ccccc3n2-c2ccccc2)c2c1ccc1c2ccc2c(C)c(C)n(-c3nc4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C44H34N6/c1-27-29(3)47(43-45-37-19-11-13-21-39(37)49(43)31-15-7-5-8-16-31)41-33(27)23-25-36-35(41)26-24-34-28(2)30(4)48(42(34)36)44-46-38-20-12-14-22-40(38)50(44)32-17-9-6-10-18-32/h5-26H,1-4H3
InChIKeyMUJGURPGCDGSID-UHFFFAOYSA-N
MW646.80 g/mol
LogP10.64
Rot. Bonds4

About 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole

1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole (PubChem CID 58175203) has the molecular formula C44H34N6 and a molecular weight of 646.80 g/mol. Its IUPAC name is 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole.

Molecular Properties

Compound Name1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole
PubChem CID58175203
Molecular FormulaC44H34N6
Molecular Weight646.80 g/mol
Exact Mass646.28
IUPAC Name1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole
SMILESCc1c(C)n(-c2nc3ccccc3n2-c2ccccc2)c2c1ccc1c2ccc2c(C)c(C)n(-c3nc4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C44H34N6/c1-27-29(3)47(43-45-37-19-11-13-21-39(37)49(43)31-15-7-5-8-16-31)41-33(27)23-25-36-35(41)26-24-34-28(2)30(4)48(42(34)36)44-46-38-20-12-14-22-40(38)50(44)32-17-9-6-10-18-32/h5-26H,1-4H3
InChIKeyMUJGURPGCDGSID-UHFFFAOYSA-N
XLogP10.64
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.80
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole?
The IUPAC name of 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole (CID 58175203) is 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole.
What is the SMILES notation for 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole?
The canonical SMILES for 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole is Cc1c(C)n(-c2nc3ccccc3n2-c2ccccc2)c2c1ccc1c2ccc2c(C)c(C)n(-c3nc4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole?
The InChIKey is MUJGURPGCDGSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N6/c1-27-29(3)47(43-45-37-19-11-13-21-39(37)49(43)31-15-7-5-8-16-31)41-33(27)23-25-36-35(41)26-24-34-28(2)30(4)48(42(34)36)44-46-38-20-12-14-22-40(38)50(44)32-17-9-6-10-18-32/h5-26H,1-4H3.
What are the key properties of 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole?
1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole has a molecular weight of 646.80 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole is sourced from PubChem (CID 58175203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).