(3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone

C44H28N2O2 — CID 58501355

IUPAC(3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1n3-c1ccccc1
InChIInChI=1S/C44H28N2O2/c47-43(29-13-5-1-6-14-29)31-22-24-39-36(25-31)38-28-41-37(27-42(38)45(39)33-17-9-3-10-18-33)35-23-21-32(44(48)30-15-7-2-8-16-30)26-40(35)46(41)34-19-11-4-12-20-34/h1-28H
InChIKeyVEJYIVCBBQGMMB-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.34
Rot. Bonds6

About (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone

(3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone (PubChem CID 58501355) has the molecular formula C44H28N2O2 and a molecular weight of 616.72 g/mol. Its IUPAC name is (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone
PubChem CID58501355
Molecular FormulaC44H28N2O2
Molecular Weight616.72 g/mol
Exact Mass616.22
IUPAC Name(3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1n3-c1ccccc1
InChIInChI=1S/C44H28N2O2/c47-43(29-13-5-1-6-14-29)31-22-24-39-36(25-31)38-28-41-37(27-42(38)45(39)33-17-9-3-10-18-33)35-23-21-32(44(48)30-15-7-2-8-16-30)26-40(35)46(41)34-19-11-4-12-20-34/h1-28H
InChIKeyVEJYIVCBBQGMMB-UHFFFAOYSA-N
XLogP10.34
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.34
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-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone?
The IUPAC name of (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone (CID 58501355) is (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone.
What is the SMILES notation for (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone?
The canonical SMILES for (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1n3-c1ccccc1.
What is the InChIKey of (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone?
The InChIKey is VEJYIVCBBQGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O2/c47-43(29-13-5-1-6-14-29)31-22-24-39-36(25-31)38-28-41-37(27-42(38)45(39)33-17-9-3-10-18-33)35-23-21-32(44(48)30-15-7-2-8-16-30)26-40(35)46(41)34-19-11-4-12-20-34/h1-28H.
What are the key properties of (3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone?
(3-benzoyl-5,11-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone has a molecular weight of 616.72 g/mol, XLogP of 10.34, 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-diphenylindolo[3,2-b]carbazol-8-yl)-phenylmethanone is sourced from PubChem (CID 58501355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).