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

C43H26N2O2 — CID 146176265

IUPAC1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-c3ccccc3)c12
InChIInChI=1S/C43H26N2O2/c46-43-32-19-9-12-22-37(32)47-38-26-25-35(39(41(38)43)27-13-3-1-4-14-27)45-33-20-10-7-17-29(33)30-23-24-36-40(42(30)45)31-18-8-11-21-34(31)44(36)28-15-5-2-6-16-28/h1-26H
InChIKeyBSFDMEFBNHOFCX-UHFFFAOYSA-N
MW602.69 g/mol
LogP10.81
Rot. Bonds3

About 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one

1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one (PubChem CID 146176265) has the molecular formula C43H26N2O2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one.

Molecular Properties

Compound Name1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
PubChem CID146176265
Molecular FormulaC43H26N2O2
Molecular Weight602.69 g/mol
Exact Mass602.20
IUPAC Name1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-c3ccccc3)c12
InChIInChI=1S/C43H26N2O2/c46-43-32-19-9-12-22-37(32)47-38-26-25-35(39(41(38)43)27-13-3-1-4-14-27)45-33-20-10-7-17-29(33)30-23-24-36-40(42(30)45)31-18-8-11-21-34(31)44(36)28-15-5-2-6-16-28/h1-26H
InChIKeyBSFDMEFBNHOFCX-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

15,24-diphenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 126679131
6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
CID 146175933
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
15,24-diphenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679108
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenylindolo[3,2-c]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 159521551
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
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
The IUPAC name of 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one (CID 146176265) is 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one.
What is the SMILES notation for 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
The canonical SMILES for 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one is O=c1c2ccccc2oc2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-c3ccccc3)c12.
What is the InChIKey of 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
The InChIKey is BSFDMEFBNHOFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2/c46-43-32-19-9-12-22-37(32)47-38-26-25-35(39(41(38)43)27-13-3-1-4-14-27)45-33-20-10-7-17-29(33)30-23-24-36-40(42(30)45)31-18-8-11-21-34(31)44(36)28-15-5-2-6-16-28/h1-26H.
What are the key properties of 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one?
1-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 1-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one is sourced from PubChem (CID 146176265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).