3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole

C39H29NO — CID 70935948

IUPAC3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2Oc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C39H29NO/c1-39(2)33-24-28(26-11-5-3-6-12-26)18-21-37(33)41-38-22-19-29(25-34(38)39)27-17-20-36-32(23-27)31-15-9-10-16-35(31)40(36)30-13-7-4-8-14-30/h3-25H,1-2H3
InChIKeyRHNXONRUBHLDTG-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.55
Rot. Bonds3

About 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole

3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole (PubChem CID 70935948) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
PubChem CID70935948
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC Name3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2Oc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C39H29NO/c1-39(2)33-24-28(26-11-5-3-6-12-26)18-21-37(33)41-38-22-19-29(25-34(38)39)27-17-20-36-32(23-27)31-15-9-10-16-35(31)40(36)30-13-7-4-8-14-30/h3-25H,1-2H3
InChIKeyRHNXONRUBHLDTG-UHFFFAOYSA-N
XLogP10.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.55
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
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole (CID 70935948) is 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole is CC1(C)c2cc(-c3ccccc3)ccc2Oc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole?
The InChIKey is RHNXONRUBHLDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)33-24-28(26-11-5-3-6-12-26)18-21-37(33)41-38-22-19-29(25-34(38)39)27-17-20-36-32(23-27)31-15-9-10-16-35(31)40(36)30-13-7-4-8-14-30/h3-25H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole?
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole has a molecular weight of 527.67 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 70935948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).