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

C56H42Br2N2O4 — CID 101461868

IUPAC3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(-c4ccc(Br)cc4)c(-c4[nH]c5cc(-c6ccc(OC)cc6)cc(-c6ccc(OC)cc6)c5c4-c4ccc(Br)cc4)[nH]c3c2)cc1
InChIInChI=1S/C56H42Br2N2O4/c1-61-43-21-9-33(10-22-43)39-29-47(35-13-25-45(63-3)26-14-35)53-49(31-39)59-55(51(53)37-5-17-41(57)18-6-37)56-52(38-7-19-42(58)20-8-38)54-48(36-15-27-46(64-4)28-16-36)30-40(32-50(54)60-56)34-11-23-44(62-2)24-12-34/h5-32,59-60H,1-4H3
InChIKeyYWANPKKFRSGNHI-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-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole

3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole (PubChem CID 101461868) 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-2-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-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
PubChem CID101461868
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-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(-c4ccc(Br)cc4)c(-c4[nH]c5cc(-c6ccc(OC)cc6)cc(-c6ccc(OC)cc6)c5c4-c4ccc(Br)cc4)[nH]c3c2)cc1
InChIInChI=1S/C56H42Br2N2O4/c1-61-43-21-9-33(10-22-43)39-29-47(35-13-25-45(63-3)26-14-35)53-49(31-39)59-55(51(53)37-5-17-41(57)18-6-37)56-52(38-7-19-42(58)20-8-38)54-48(36-15-27-46(64-4)28-16-36)30-40(32-50(54)60-56)34-11-23-44(62-2)24-12-34/h5-32,59-60H,1-4H3
InChIKeyYWANPKKFRSGNHI-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

2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole
CID 102141749
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
6-(4-bromophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 35212451
1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine
CID 162232953
1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole
CID 122366134
1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 101257502
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-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-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole (CID 101461868) is 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-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-2-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-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(-c4ccc(Br)cc4)c(-c4[nH]c5cc(-c6ccc(OC)cc6)cc(-c6ccc(OC)cc6)c5c4-c4ccc(Br)cc4)[nH]c3c2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole?
The InChIKey is YWANPKKFRSGNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42Br2N2O4/c1-61-43-21-9-33(10-22-43)39-29-47(35-13-25-45(63-3)26-14-35)53-49(31-39)59-55(51(53)37-5-17-41(57)18-6-37)56-52(38-7-19-42(58)20-8-38)54-48(36-15-27-46(64-4)28-16-36)30-40(32-50(54)60-56)34-11-23-44(62-2)24-12-34/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-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole?
3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-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-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 101461868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).