3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole

C47H31NO — CID 177298950

IUPAC3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C47H31NO/c1-3-16-35(17-4-1)47(36-18-5-2-6-19-36)40-22-10-12-25-45(40)49-46-31-34(26-28-41(46)47)33-27-29-44-39(30-33)38-21-9-11-23-43(38)48(44)42-24-13-15-32-14-7-8-20-37(32)42/h1-31H
InChIKeyPCNMFHHSDNCQQG-UHFFFAOYSA-N
MW625.77 g/mol
LogP12.09
Rot. Bonds4

About 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole

3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole (PubChem CID 177298950) has the molecular formula C47H31NO and a molecular weight of 625.77 g/mol. Its IUPAC name is 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
PubChem CID177298950
Molecular FormulaC47H31NO
Molecular Weight625.77 g/mol
Exact Mass625.24
IUPAC Name3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C47H31NO/c1-3-16-35(17-4-1)47(36-18-5-2-6-19-36)40-22-10-12-25-45(40)49-46-31-34(26-28-41(46)47)33-27-29-44-39(30-33)38-21-9-11-23-43(38)48(44)42-24-13-15-32-14-7-8-20-37(32)42/h1-31H
InChIKeyPCNMFHHSDNCQQG-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-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole
CID 170039037
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122414007
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile
CID 121296773
9-naphthalen-1-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334261
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole
CID 177298805
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole (CID 177298950) is 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole?
The InChIKey is PCNMFHHSDNCQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO/c1-3-16-35(17-4-1)47(36-18-5-2-6-19-36)40-22-10-12-25-45(40)49-46-31-34(26-28-41(46)47)33-27-29-44-39(30-33)38-21-9-11-23-43(38)48(44)42-24-13-15-32-14-7-8-20-37(32)42/h1-31H.
What are the key properties of 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole?
3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole 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 3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 177298950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).