1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene

C42H24Br6 — CID 15456668

IUPAC1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene
SMILESBrc1cccc(C(=C2C(=C(c3cccc(Br)c3)c3cccc(Br)c3)C2=C(c2cccc(Br)c2)c2cccc(Br)c2)c2cccc(Br)c2)c1
InChIInChI=1S/C42H24Br6/c43-31-13-1-7-25(19-31)37(26-8-2-14-32(44)20-26)40-41(38(27-9-3-15-33(45)21-27)28-10-4-16-34(46)22-28)42(40)39(29-11-5-17-35(47)23-29)30-12-6-18-36(48)24-30/h1-24H
InChIKeyIFUYUOONPGZWJD-UHFFFAOYSA-N
MW1008.08 g/mol
LogP15.08
Rot. Bonds6

About 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene

1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene (PubChem CID 15456668) has the molecular formula C42H24Br6 and a molecular weight of 1008.08 g/mol. Its IUPAC name is 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene.

Molecular Properties

Compound Name1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene
PubChem CID15456668
Molecular FormulaC42H24Br6
Molecular Weight1008.08 g/mol
Exact Mass1001.70
IUPAC Name1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene
SMILESBrc1cccc(C(=C2C(=C(c3cccc(Br)c3)c3cccc(Br)c3)C2=C(c2cccc(Br)c2)c2cccc(Br)c2)c2cccc(Br)c2)c1
InChIInChI=1S/C42H24Br6/c43-31-13-1-7-25(19-31)37(26-8-2-14-32(44)20-26)40-41(38(27-9-3-15-33(45)21-27)28-10-4-16-34(46)22-28)42(40)39(29-11-5-17-35(47)23-29)30-12-6-18-36(48)24-30/h1-24H
InChIKeyIFUYUOONPGZWJD-UHFFFAOYSA-N
XLogP15.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.08
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 95403688
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CID 86650253

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene?
The IUPAC name of 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene (CID 15456668) is 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene.
What is the SMILES notation for 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene?
The canonical SMILES for 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene is Brc1cccc(C(=C2C(=C(c3cccc(Br)c3)c3cccc(Br)c3)C2=C(c2cccc(Br)c2)c2cccc(Br)c2)c2cccc(Br)c2)c1.
What is the InChIKey of 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene?
The InChIKey is IFUYUOONPGZWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Br6/c43-31-13-1-7-25(19-31)37(26-8-2-14-32(44)20-26)40-41(38(27-9-3-15-33(45)21-27)28-10-4-16-34(46)22-28)42(40)39(29-11-5-17-35(47)23-29)30-12-6-18-36(48)24-30/h1-24H.
What are the key properties of 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene?
1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene has a molecular weight of 1008.08 g/mol, XLogP of 15.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene is sourced from PubChem (CID 15456668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).