3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole

C56H42Br2N2O4 — CID 101461872

IUPAC3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(-c4ccc(Br)cc4)c(-c4c(-c5ccc(OC)cc5)cc(-c5ccc(OC)cc5)c5c(-c6ccc(Br)cc6)c[nH]c45)[nH]c3c2)cc1
InChIInChI=1S/C56H42Br2N2O4/c1-61-42-21-9-33(10-22-42)39-29-46(34-11-23-43(62-2)24-12-34)53-50(30-39)60-56(51(53)38-7-19-41(58)20-8-38)54-48(36-15-27-45(64-4)28-16-36)31-47(35-13-25-44(63-3)26-14-35)52-49(32-59-55(52)54)37-5-17-40(57)18-6-37/h5-32,59-60H,1-4H3
InChIKeyZPSWGSYILZNMDC-UHFFFAOYSA-N
MW966.77 g/mol
LogP15.88
Rot. Bonds11

About 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole

3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole (PubChem CID 101461872) has the molecular formula C56H42Br2N2O4 and a molecular weight of 966.77 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
PubChem CID101461872
Molecular FormulaC56H42Br2N2O4
Molecular Weight966.77 g/mol
Exact Mass964.15
IUPAC Name3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(-c4ccc(Br)cc4)c(-c4c(-c5ccc(OC)cc5)cc(-c5ccc(OC)cc5)c5c(-c6ccc(Br)cc6)c[nH]c45)[nH]c3c2)cc1
InChIInChI=1S/C56H42Br2N2O4/c1-61-42-21-9-33(10-22-42)39-29-46(34-11-23-43(62-2)24-12-34)53-50(30-39)60-56(51(53)38-7-19-41(58)20-8-38)54-48(36-15-27-45(64-4)28-16-36)31-47(35-13-25-44(63-3)26-14-35)52-49(32-59-55(52)54)37-5-17-40(57)18-6-37/h5-32,59-60H,1-4H3
InChIKeyZPSWGSYILZNMDC-UHFFFAOYSA-N
XLogP15.88
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.77
LogP ≤ 515.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

DIM-C-pPhOCH3
CID 11371604
3,3'-[(4-Methoxyphenyl) methylene]-bis-(5-bromo-1h-indole)
CID 3745174
3-[(3-bromo-4-methoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 72196381
(NE)-N-[1-(4-bromophenyl)-2,2-bis(5-methoxy-1H-indol-3-yl)ethylidene]hydroxylamine
CID 132819966
3-[anthracen-9-yl-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 72196744
3,3'-(4-Bromophenylmethanediyl)bis(5-methoxy-1H-indole)
CID 73348813
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methoxyphenyl)methyl]-1H-indole
CID 90671324
3-[6-(1H-indol-3-yl)-4-(4-methoxyphenyl)-2-pyridinyl]-1H-indole
CID 137646361
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dimethoxyphenyl)methyl]-1H-indole
CID 11376128
5-bromo-3-[(2S)-1,1,1-trifluoro-2-(4-methoxyphenyl)-3-nitropropan-2-yl]-1H-indole
CID 168345303
2-[4-[(Z)-2-[3-[(4-bromophenyl)-[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172446936
2-[4-[(E)-2-[3-[(4-bromophenyl)-[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172471615

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole?
The IUPAC name of 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole (CID 101461872) is 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(-c4ccc(Br)cc4)c(-c4c(-c5ccc(OC)cc5)cc(-c5ccc(OC)cc5)c5c(-c6ccc(Br)cc6)c[nH]c45)[nH]c3c2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole?
The InChIKey is ZPSWGSYILZNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42Br2N2O4/c1-61-42-21-9-33(10-22-42)39-29-46(34-11-23-43(62-2)24-12-34)53-50(30-39)60-56(51(53)38-7-19-41(58)20-8-38)54-48(36-15-27-45(64-4)28-16-36)31-47(35-13-25-44(63-3)26-14-35)52-49(32-59-55(52)54)37-5-17-40(57)18-6-37/h5-32,59-60H,1-4H3.
What are the key properties of 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole?
3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole has a molecular weight of 966.77 g/mol, XLogP of 15.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-7-yl]-4,6-bis(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 101461872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).