3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one

C49H30N2O2 — CID 142288913

IUPAC3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3ccc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)ccc12
InChIInChI=1S/C49H30N2O2/c52-49-41-14-6-9-17-47(41)53-48-29-34(21-26-42(48)49)32-18-22-35(23-19-32)50-45-28-33(31-10-2-1-3-11-31)20-25-39(45)40-27-24-36(30-46(40)50)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51/h1-30H
InChIKeyMYBUXBZZFGASJS-UHFFFAOYSA-N
MW678.79 g/mol
LogP12.47
Rot. Bonds4

About 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one

3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one (PubChem CID 142288913) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one.

Molecular Properties

Compound Name3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
PubChem CID142288913
Molecular FormulaC49H30N2O2
Molecular Weight678.79 g/mol
Exact Mass678.23
IUPAC Name3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3ccc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)ccc12
InChIInChI=1S/C49H30N2O2/c52-49-41-14-6-9-17-47(41)53-48-29-34(21-26-42(48)49)32-18-22-35(23-19-32)50-45-28-33(31-10-2-1-3-11-31)20-25-39(45)40-27-24-36(30-46(40)50)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51/h1-30H
InChIKeyMYBUXBZZFGASJS-UHFFFAOYSA-N
XLogP12.47
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
CID 146175933
2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463
10-dibenzofuran-3-yl-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324824
5-dibenzofuran-3-yl-7-[4-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847658
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole
CID 146647922
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631913

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one?
The IUPAC name of 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one (CID 142288913) is 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one.
What is the SMILES notation for 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one?
The canonical SMILES for 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one is O=c1c2ccccc2oc2cc(-c3ccc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)ccc12.
What is the InChIKey of 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one?
The InChIKey is MYBUXBZZFGASJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2/c52-49-41-14-6-9-17-47(41)53-48-29-34(21-26-42(48)49)32-18-22-35(23-19-32)50-45-28-33(31-10-2-1-3-11-31)20-25-39(45)40-27-24-36(30-46(40)50)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51/h1-30H.
What are the key properties of 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one?
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one has a molecular weight of 678.79 g/mol, XLogP of 12.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one is sourced from PubChem (CID 142288913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).