1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole

C32H24Br2N2O3 — CID 71615544

IUPAC1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3c3c2c(-c2ccc(Br)cc2)nn3-c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H24Br2N2O3/c1-37-25-14-6-19(7-15-25)26-16-21-17-28(38-2)29(39-3)18-27(21)32-30(26)31(20-4-8-22(33)9-5-20)35-36(32)24-12-10-23(34)11-13-24/h4-18H,1-3H3
InChIKeyKOPIPNQMLRLOGP-UHFFFAOYSA-N
MW644.36 g/mol
LogP9.06
Rot. Bonds6

About 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole

1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole (PubChem CID 71615544) has the molecular formula C32H24Br2N2O3 and a molecular weight of 644.36 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole
PubChem CID71615544
Molecular FormulaC32H24Br2N2O3
Molecular Weight644.36 g/mol
Exact Mass642.02
IUPAC Name1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3c3c2c(-c2ccc(Br)cc2)nn3-c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H24Br2N2O3/c1-37-25-14-6-19(7-15-25)26-16-21-17-28(38-2)29(39-3)18-27(21)32-30(26)31(20-4-8-22(33)9-5-20)35-36(32)24-12-10-23(34)11-13-24/h4-18H,1-3H3
InChIKeyKOPIPNQMLRLOGP-UHFFFAOYSA-N
XLogP9.06
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.36
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole?
The IUPAC name of 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole (CID 71615544) is 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole.
What is the SMILES notation for 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole?
The canonical SMILES for 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole is COc1ccc(-c2cc3cc(OC)c(OC)cc3c3c2c(-c2ccc(Br)cc2)nn3-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole?
The InChIKey is KOPIPNQMLRLOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Br2N2O3/c1-37-25-14-6-19(7-15-25)26-16-21-17-28(38-2)29(39-3)18-27(21)32-30(26)31(20-4-8-22(33)9-5-20)35-36(32)24-12-10-23(34)11-13-24/h4-18H,1-3H3.
What are the key properties of 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole?
1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole has a molecular weight of 644.36 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)-7,8-dimethoxy-4-(4-methoxyphenyl)benzo[g]indazole is sourced from PubChem (CID 71615544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).