2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole

C36H22ClNO — CID 169010507

IUPAC2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole
SMILESClc1ccc2oc3cccc(-c4ccc5c6c(-c7ccccc7)cccc6n(-c6ccccc6)c5c4)c3c2c1
InChIInChI=1S/C36H22ClNO/c37-25-18-20-33-30(22-25)36-28(14-8-16-34(36)39-33)24-17-19-29-32(21-24)38(26-11-5-2-6-12-26)31-15-7-13-27(35(29)31)23-9-3-1-4-10-23/h1-22H
InChIKeyHXLDLBFZTDQPMJ-UHFFFAOYSA-N
MW520.03 g/mol
LogP10.67
Rot. Bonds3

About 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole

2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole (PubChem CID 169010507) has the molecular formula C36H22ClNO and a molecular weight of 520.03 g/mol. Its IUPAC name is 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole.

Molecular Properties

Compound Name2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole
PubChem CID169010507
Molecular FormulaC36H22ClNO
Molecular Weight520.03 g/mol
Exact Mass519.14
IUPAC Name2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole
SMILESClc1ccc2oc3cccc(-c4ccc5c6c(-c7ccccc7)cccc6n(-c6ccccc6)c5c4)c3c2c1
InChIInChI=1S/C36H22ClNO/c37-25-18-20-33-30(22-25)36-28(14-8-16-34(36)39-33)24-17-19-29-32(21-24)38(26-11-5-2-6-12-26)31-15-7-13-27(35(29)31)23-9-3-1-4-10-23/h1-22H
InChIKeyHXLDLBFZTDQPMJ-UHFFFAOYSA-N
XLogP10.67
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.03
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
2-[6-[9-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazol-2-yl]-11,12-diphenyl-8-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]indolo[2,3-a]carbazole
CID 167077856
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole?
The IUPAC name of 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole (CID 169010507) is 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole.
What is the SMILES notation for 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole?
The canonical SMILES for 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole is Clc1ccc2oc3cccc(-c4ccc5c6c(-c7ccccc7)cccc6n(-c6ccccc6)c5c4)c3c2c1.
What is the InChIKey of 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole?
The InChIKey is HXLDLBFZTDQPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClNO/c37-25-18-20-33-30(22-25)36-28(14-8-16-34(36)39-33)24-17-19-29-32(21-24)38(26-11-5-2-6-12-26)31-15-7-13-27(35(29)31)23-9-3-1-4-10-23/h1-22H.
What are the key properties of 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole?
2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole has a molecular weight of 520.03 g/mol, XLogP of 10.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chlorodibenzofuran-1-yl)-5,9-diphenylcarbazole is sourced from PubChem (CID 169010507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).