5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole

C47H31NO — CID 170039037

IUPAC5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc32)cc1
InChIInChI=1S/C47H31NO/c1-3-17-35(18-4-1)47(36-19-5-2-6-20-36)40-23-11-14-26-45(40)49-46-28-27-34(30-41(46)47)37-21-9-12-24-42(37)48-43-25-13-10-22-38(43)39-29-32-15-7-8-16-33(32)31-44(39)48/h1-31H
InChIKeyDFGUPFKLICLCRG-UHFFFAOYSA-N
MW625.77 g/mol
LogP12.09
Rot. Bonds4

About 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole

5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole (PubChem CID 170039037) has the molecular formula C47H31NO and a molecular weight of 625.77 g/mol. Its IUPAC name is 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole
PubChem CID170039037
Molecular FormulaC47H31NO
Molecular Weight625.77 g/mol
Exact Mass625.24
IUPAC Name5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc32)cc1
InChIInChI=1S/C47H31NO/c1-3-17-35(18-4-1)47(36-19-5-2-6-20-36)40-23-11-14-26-45(40)49-46-28-27-34(30-41(46)47)37-21-9-12-24-42(37)48-43-25-13-10-22-38(43)39-29-32-15-7-8-16-33(32)31-44(39)48/h1-31H
InChIKeyDFGUPFKLICLCRG-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

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Related Compounds

5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
CID 177298950
7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038803
2'-phenanthren-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135139917
12-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 170042206
9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 174277156
6-(2-carbazol-9-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168798301
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135139924

Frequently Asked Questions

What is the IUPAC name of 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole (CID 170039037) is 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc32)cc1.
What is the InChIKey of 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is DFGUPFKLICLCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO/c1-3-17-35(18-4-1)47(36-19-5-2-6-20-36)40-23-11-14-26-45(40)49-46-28-27-34(30-41(46)47)37-21-9-12-24-42(37)48-43-25-13-10-22-38(43)39-29-32-15-7-8-16-33(32)31-44(39)48/h1-31H.
What are the key properties of 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole?
5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]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 5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 170039037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).