6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole

C37H27NO — CID 170042677

IUPAC6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole
SMILESCC1(C)c2ccccc2Oc2ccc(-c3cc4ccccc4c4c5ccccc5n(-c5ccccc5)c34)cc21
InChIInChI=1S/C37H27NO/c1-37(2)30-17-9-11-19-33(30)39-34-21-20-25(23-31(34)37)29-22-24-12-6-7-15-27(24)35-28-16-8-10-18-32(28)38(36(29)35)26-13-4-3-5-14-26/h3-23H,1-2H3
InChIKeyDVYAPJKCPDUGNB-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.04
Rot. Bonds2

About 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole

6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole (PubChem CID 170042677) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole
PubChem CID170042677
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole
SMILESCC1(C)c2ccccc2Oc2ccc(-c3cc4ccccc4c4c5ccccc5n(-c5ccccc5)c34)cc21
InChIInChI=1S/C37H27NO/c1-37(2)30-17-9-11-19-33(30)39-34-21-20-25(23-31(34)37)29-22-24-12-6-7-15-27(24)35-28-16-8-10-18-32(28)38(36(29)35)26-13-4-3-5-14-26/h3-23H,1-2H3
InChIKeyDVYAPJKCPDUGNB-UHFFFAOYSA-N
XLogP10.04
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
CID 177126786
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
12-[4-(9,9-dimethylxanthen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 170042625
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
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
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine
CID 126681140
[5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane
CID 172534562

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole?
The IUPAC name of 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole (CID 170042677) is 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole?
The canonical SMILES for 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole is CC1(C)c2ccccc2Oc2ccc(-c3cc4ccccc4c4c5ccccc5n(-c5ccccc5)c34)cc21.
What is the InChIKey of 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole?
The InChIKey is DVYAPJKCPDUGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-37(2)30-17-9-11-19-33(30)39-34-21-20-25(23-31(34)37)29-22-24-12-6-7-15-27(24)35-28-16-8-10-18-32(28)38(36(29)35)26-13-4-3-5-14-26/h3-23H,1-2H3.
What are the key properties of 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole?
6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole has a molecular weight of 501.63 g/mol, XLogP of 10.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylxanthen-2-yl)-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 170042677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).