8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole

C47H31NO — CID 170038799

IUPAC8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C47H31NO/c1-4-15-35(16-5-1)47(36-17-6-2-7-18-36)41-22-12-13-23-44(41)49-45-29-26-34(31-42(45)47)33-25-28-43-40(30-33)39-27-24-32-14-10-11-21-38(32)46(39)48(43)37-19-8-3-9-20-37/h1-31H
InChIKeyRRXUGKRQTIVKIB-UHFFFAOYSA-N
MW625.77 g/mol
LogP12.09
Rot. Bonds4

About 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole

8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole (PubChem CID 170038799) has the molecular formula C47H31NO and a molecular weight of 625.77 g/mol. Its IUPAC name is 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
PubChem CID170038799
Molecular FormulaC47H31NO
Molecular Weight625.77 g/mol
Exact Mass625.24
IUPAC Name8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C47H31NO/c1-4-15-35(16-5-1)47(36-17-6-2-7-18-36)41-22-12-13-23-44(41)49-45-29-26-34(31-42(45)47)33-25-28-43-40(30-33)39-27-24-32-14-10-11-21-38(32)46(39)48(43)37-19-8-3-9-20-37/h1-31H
InChIKeyRRXUGKRQTIVKIB-UHFFFAOYSA-N
XLogP12.09
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.77
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038803
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
CID 129133135
9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
CID 177298950
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 177127924
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole (CID 170038799) is 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
The InChIKey is RRXUGKRQTIVKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO/c1-4-15-35(16-5-1)47(36-17-6-2-7-18-36)41-22-12-13-23-44(41)49-45-29-26-34(31-42(45)47)33-25-28-43-40(30-33)39-27-24-32-14-10-11-21-38(32)46(39)48(43)37-19-8-3-9-20-37/h1-31H.
What are the key properties of 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole has a molecular weight of 625.77 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 170038799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).