3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole

C36H22BrNO — CID 146490414

IUPAC3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12
InChIInChI=1S/C36H22BrNO/c37-24-18-20-32-30(22-24)27-14-6-8-16-31(27)38(32)33-21-19-28(35-29-15-7-9-17-34(29)39-36(33)35)26-13-5-4-12-25(26)23-10-2-1-3-11-23/h1-22H
InChIKeyKDGYIZHIEYFANT-UHFFFAOYSA-N
MW564.48 g/mol
LogP10.78
Rot. Bonds3

About 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole

3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole (PubChem CID 146490414) has the molecular formula C36H22BrNO and a molecular weight of 564.48 g/mol. Its IUPAC name is 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole
PubChem CID146490414
Molecular FormulaC36H22BrNO
Molecular Weight564.48 g/mol
Exact Mass563.09
IUPAC Name3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12
InChIInChI=1S/C36H22BrNO/c37-24-18-20-32-30(22-24)27-14-6-8-16-31(27)38(32)33-21-19-28(35-29-15-7-9-17-34(29)39-36(33)35)26-13-5-4-12-25(26)23-10-2-1-3-11-23/h1-22H
InChIKeyKDGYIZHIEYFANT-UHFFFAOYSA-N
XLogP10.78
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.48
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole
CID 146490591
4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490407
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-3-yl]-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 163889924
9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole
CID 166867094
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490425
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
9-phenyl-1-[2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-5-[9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazol-2-yl]carbazole
CID 166867085
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole (CID 146490414) is 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12.
What is the InChIKey of 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole?
The InChIKey is KDGYIZHIEYFANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BrNO/c37-24-18-20-32-30(22-24)27-14-6-8-16-31(27)38(32)33-21-19-28(35-29-15-7-9-17-34(29)39-36(33)35)26-13-5-4-12-25(26)23-10-2-1-3-11-23/h1-22H.
What are the key properties of 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole?
3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole has a molecular weight of 564.48 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146490414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).