6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one

C43H26N2O2 — CID 146175933

IUPAC6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
SMILESO=c1c2ccc(-c3ccccc3)cc2oc2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc12
InChIInChI=1S/C43H26N2O2/c46-43-34-21-19-28(27-11-3-1-4-12-27)25-40(34)47-39-24-20-30(26-35(39)43)45-36-17-9-7-15-31(36)32-22-23-38-41(42(32)45)33-16-8-10-18-37(33)44(38)29-13-5-2-6-14-29/h1-26H
InChIKeyXPLWKWRRDSMWDA-UHFFFAOYSA-N
MW602.69 g/mol
LogP10.81
Rot. Bonds3

About 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one

6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one (PubChem CID 146175933) has the molecular formula C43H26N2O2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one.

Molecular Properties

Compound Name6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
PubChem CID146175933
Molecular FormulaC43H26N2O2
Molecular Weight602.69 g/mol
Exact Mass602.20
IUPAC Name6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
SMILESO=c1c2ccc(-c3ccccc3)cc2oc2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc12
InChIInChI=1S/C43H26N2O2/c46-43-34-21-19-28(27-11-3-1-4-12-27)25-40(34)47-39-24-20-30(26-35(39)43)45-36-17-9-7-15-31(36)32-22-23-38-41(42(32)45)33-16-8-10-18-37(33)44(38)29-13-5-2-6-14-29/h1-26H
InChIKeyXPLWKWRRDSMWDA-UHFFFAOYSA-N
XLogP10.81
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
CID 146176135
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167192768
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
The IUPAC name of 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one (CID 146175933) is 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one.
What is the SMILES notation for 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
The canonical SMILES for 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one is O=c1c2ccc(-c3ccccc3)cc2oc2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc12.
What is the InChIKey of 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
The InChIKey is XPLWKWRRDSMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2/c46-43-34-21-19-28(27-11-3-1-4-12-27)25-40(34)47-39-24-20-30(26-35(39)43)45-36-17-9-7-15-31(36)32-22-23-38-41(42(32)45)33-16-8-10-18-37(33)44(38)29-13-5-2-6-14-29/h1-26H.
What are the key properties of 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one has a molecular weight of 602.69 g/mol, XLogP of 10.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one is sourced from PubChem (CID 146175933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).