[3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone

C46H32N2O2 — CID 71140486

IUPAC[3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone
SMILESCc1ccc(-n2c3cc(C(=O)c4ccccc4)ccc3c3cc4c(cc32)c2ccc(C(=O)c3ccccc3)cc2n4-c2ccc(C)cc2)cc1
InChIInChI=1S/C46H32N2O2/c1-29-13-19-35(20-14-29)47-41-25-33(45(49)31-9-5-3-6-10-31)17-23-37(41)39-28-44-40(27-43(39)47)38-24-18-34(46(50)32-11-7-4-8-12-32)26-42(38)48(44)36-21-15-30(2)16-22-36/h3-28H,1-2H3
InChIKeyVQDCYFWGOCRVIZ-UHFFFAOYSA-N
MW644.77 g/mol
LogP10.96
Rot. Bonds6

About [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone

[3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone (PubChem CID 71140486) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone
PubChem CID71140486
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC Name[3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone
SMILESCc1ccc(-n2c3cc(C(=O)c4ccccc4)ccc3c3cc4c(cc32)c2ccc(C(=O)c3ccccc3)cc2n4-c2ccc(C)cc2)cc1
InChIInChI=1S/C46H32N2O2/c1-29-13-19-35(20-14-29)47-41-25-33(45(49)31-9-5-3-6-10-31)17-23-37(41)39-28-44-40(27-43(39)47)38-24-18-34(46(50)32-11-7-4-8-12-32)26-42(38)48(44)36-21-15-30(2)16-22-36/h3-28H,1-2H3
InChIKeyVQDCYFWGOCRVIZ-UHFFFAOYSA-N
XLogP10.96
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone?
The IUPAC name of [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone (CID 71140486) is [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone.
What is the SMILES notation for [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone?
The canonical SMILES for [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone is Cc1ccc(-n2c3cc(C(=O)c4ccccc4)ccc3c3cc4c(cc32)c2ccc(C(=O)c3ccccc3)cc2n4-c2ccc(C)cc2)cc1.
What is the InChIKey of [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone?
The InChIKey is VQDCYFWGOCRVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-29-13-19-35(20-14-29)47-41-25-33(45(49)31-9-5-3-6-10-31)17-23-37(41)39-28-44-40(27-43(39)47)38-24-18-34(46(50)32-11-7-4-8-12-32)26-42(38)48(44)36-21-15-30(2)16-22-36/h3-28H,1-2H3.
What are the key properties of [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone?
[3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone has a molecular weight of 644.77 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzoyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-9-yl]-phenylmethanone is sourced from PubChem (CID 71140486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).