6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one

C50H31NO2 — CID 135232595

IUPAC6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
SMILESO=c1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2oc2cccc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c12
InChIInChI=1S/C50H31NO2/c52-50-41-26-22-33(32-24-27-45-43(28-32)38-17-9-10-20-44(38)51(45)35-14-5-2-6-15-35)30-47(41)53-46-21-11-19-36(49(46)50)34-23-25-40-42(29-34)37-16-7-8-18-39(37)48(40)31-12-3-1-4-13-31/h1-30,48H
InChIKeyOLZJDZQVVFJQHA-UHFFFAOYSA-N
MW677.80 g/mol
LogP12.54
Rot. Bonds4

About 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one

6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one (PubChem CID 135232595) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one.

Molecular Properties

Compound Name6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
PubChem CID135232595
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC Name6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
SMILESO=c1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2oc2cccc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c12
InChIInChI=1S/C50H31NO2/c52-50-41-26-22-33(32-24-27-45-43(28-32)38-17-9-10-20-44(38)51(45)35-14-5-2-6-15-35)30-47(41)53-46-21-11-19-36(49(46)50)34-23-25-40-42(29-34)37-16-7-8-18-39(37)48(40)31-12-3-1-4-13-31/h1-30,48H
InChIKeyOLZJDZQVVFJQHA-UHFFFAOYSA-N
XLogP12.54
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 512.54
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

3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397
24-phenyl-28-(9-phenyl-9H-fluoren-3-yl)-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130323535
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline
CID 58510731
2-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;18-(9-phenylcarbazol-3-yl)-14-(4-phenylphenyl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;8-(9-phenyl-9H-fluoren-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 158116757
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 161108968
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866

Frequently Asked Questions

What is the IUPAC name of 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one?
The IUPAC name of 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one (CID 135232595) is 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one.
What is the SMILES notation for 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one?
The canonical SMILES for 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one is O=c1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2oc2cccc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c12.
What is the InChIKey of 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one?
The InChIKey is OLZJDZQVVFJQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c52-50-41-26-22-33(32-24-27-45-43(28-32)38-17-9-10-20-44(38)51(45)35-14-5-2-6-15-35)30-47(41)53-46-21-11-19-36(49(46)50)34-23-25-40-42(29-34)37-16-7-8-18-39(37)48(40)31-12-3-1-4-13-31/h1-30,48H.
What are the key properties of 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one?
6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one has a molecular weight of 677.80 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one is sourced from PubChem (CID 135232595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).