2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one

C43H27NO2 — CID 165377181

IUPAC2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccc(-n4c5c(-c6ccccc6)cccc5c5cccc(-c6ccccc6)c54)cc3)cc12
InChIInChI=1S/C43H27NO2/c45-43-37-15-7-8-20-39(37)46-40-26-23-31(27-38(40)43)28-21-24-32(25-22-28)44-41-33(29-11-3-1-4-12-29)16-9-18-35(41)36-19-10-17-34(42(36)44)30-13-5-2-6-14-30/h1-27H
InChIKeyLZHQUIXKXUPWBN-UHFFFAOYSA-N
MW589.69 g/mol
LogP11.04
Rot. Bonds4

About 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one

2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one (PubChem CID 165377181) has the molecular formula C43H27NO2 and a molecular weight of 589.69 g/mol. Its IUPAC name is 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one.

Molecular Properties

Compound Name2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one
PubChem CID165377181
Molecular FormulaC43H27NO2
Molecular Weight589.69 g/mol
Exact Mass589.20
IUPAC Name2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccc(-n4c5c(-c6ccccc6)cccc5c5cccc(-c6ccccc6)c54)cc3)cc12
InChIInChI=1S/C43H27NO2/c45-43-37-15-7-8-20-39(37)46-40-26-23-31(27-38(40)43)28-21-24-32(25-22-28)44-41-33(29-11-3-1-4-12-29)16-9-18-35(41)36-19-10-17-34(42(36)44)30-13-5-2-6-14-30/h1-27H
InChIKeyLZHQUIXKXUPWBN-UHFFFAOYSA-N
XLogP11.04
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377162
6-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,3-diphenylxanthen-9-one
CID 165377171
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
1,8-di(dibenzofuran-2-yl)-9-[4-(4-naphthalen-2-ylphenyl)phenyl]carbazole
CID 154970684
2-[3-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-7-phenylxanthen-9-one
CID 146175878
2-[3-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-6-phenylxanthen-9-one
CID 146175877
6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201179
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-1-phenylcarbazole
CID 163433245
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201210
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
2-[3-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]phenyl]xanthen-9-one
CID 176758561
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one?
The IUPAC name of 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one (CID 165377181) is 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one.
What is the SMILES notation for 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one?
The canonical SMILES for 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one is O=c1c2ccccc2oc2ccc(-c3ccc(-n4c5c(-c6ccccc6)cccc5c5cccc(-c6ccccc6)c54)cc3)cc12.
What is the InChIKey of 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one?
The InChIKey is LZHQUIXKXUPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO2/c45-43-37-15-7-8-20-39(37)46-40-26-23-31(27-38(40)43)28-21-24-32(25-22-28)44-41-33(29-11-3-1-4-12-29)16-9-18-35(41)36-19-10-17-34(42(36)44)30-13-5-2-6-14-30/h1-27H.
What are the key properties of 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one?
2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one has a molecular weight of 589.69 g/mol, XLogP of 11.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one is sourced from PubChem (CID 165377181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).