9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole

C38H22ClNO — CID 156695171

IUPAC9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole
SMILESClc1cc(-c2c3ccccc3c(-n3c4ccccc4c4ccccc43)c3ccccc23)cc2oc3ccccc3c12
InChIInChI=1S/C38H22ClNO/c39-31-21-23(22-35-37(31)30-17-7-10-20-34(30)41-35)36-26-13-1-3-15-28(26)38(29-16-4-2-14-27(29)36)40-32-18-8-5-11-24(32)25-12-6-9-19-33(25)40/h1-22H
InChIKeyWKADWHMQQDUQJK-UHFFFAOYSA-N
MW544.05 g/mol
LogP11.31
Rot. Bonds2

About 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole

9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole (PubChem CID 156695171) has the molecular formula C38H22ClNO and a molecular weight of 544.05 g/mol. Its IUPAC name is 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole
PubChem CID156695171
Molecular FormulaC38H22ClNO
Molecular Weight544.05 g/mol
Exact Mass543.14
IUPAC Name9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole
SMILESClc1cc(-c2c3ccccc3c(-n3c4ccccc4c4ccccc43)c3ccccc23)cc2oc3ccccc3c12
InChIInChI=1S/C38H22ClNO/c39-31-21-23(22-35-37(31)30-17-7-10-20-34(30)41-35)36-26-13-1-3-15-28(26)38(29-16-4-2-14-27(29)36)40-32-18-8-5-11-24(32)25-12-6-9-19-33(25)40/h1-22H
InChIKeyWKADWHMQQDUQJK-UHFFFAOYSA-N
XLogP11.31
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.05
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole
CID 146805124
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
2,5-di(carbazol-9-yl)-4,6-di(dibenzofuran-3-yl)benzene-1,3-dicarbonitrile
CID 164819680
9-[10-[8-(10-carbazol-9-ylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole;3,6-ditert-butyl-9-[10-[8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]carbazole;9-[10-[8-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
CID 159599118
9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 153300099
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole
CID 164847899
5-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159714513
2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201075
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718

Frequently Asked Questions

What is the IUPAC name of 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole?
The IUPAC name of 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole (CID 156695171) is 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole is Clc1cc(-c2c3ccccc3c(-n3c4ccccc4c4ccccc43)c3ccccc23)cc2oc3ccccc3c12.
What is the InChIKey of 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole?
The InChIKey is WKADWHMQQDUQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22ClNO/c39-31-21-23(22-35-37(31)30-17-7-10-20-34(30)41-35)36-26-13-1-3-15-28(26)38(29-16-4-2-14-27(29)36)40-32-18-8-5-11-24(32)25-12-6-9-19-33(25)40/h1-22H.
What are the key properties of 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole?
9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole has a molecular weight of 544.05 g/mol, XLogP of 11.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(1-chlorodibenzofuran-3-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 156695171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).