10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C30H16BrNO — CID 139330508

IUPAC10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESBrc1cccc2c1oc1c(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cccc12
InChIInChI=1S/C30H16BrNO/c31-25-12-6-11-22-21-10-5-9-18(29(21)33-30(22)25)17-15-23-19-7-1-3-13-26(19)32-27-14-4-2-8-20(27)24(16-17)28(23)32/h1-16H
InChIKeyYLTJISGAJUHLDQ-UHFFFAOYSA-N
MW486.37 g/mol
LogP9.17
Rot. Bonds1

About 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 139330508) has the molecular formula C30H16BrNO and a molecular weight of 486.37 g/mol. Its IUPAC name is 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID139330508
Molecular FormulaC30H16BrNO
Molecular Weight486.37 g/mol
Exact Mass485.04
IUPAC Name10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESBrc1cccc2c1oc1c(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cccc12
InChIInChI=1S/C30H16BrNO/c31-25-12-6-11-22-21-10-5-9-18(29(21)33-30(22)25)17-15-23-19-7-1-3-13-26(19)32-27-14-4-2-8-20(27)24(16-17)28(23)32/h1-16H
InChIKeyYLTJISGAJUHLDQ-UHFFFAOYSA-N
XLogP9.17
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.37
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 148608191
10-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166744607
4-bromo-6-fluoranthen-3-yldibenzofuran
CID 129100187
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163
10-triphenylen-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 152828281
4-(2-bromophenyl)-15-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 135208931
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118179975
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118186890

Frequently Asked Questions

What is the IUPAC name of 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 139330508) is 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is Brc1cccc2c1oc1c(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cccc12.
What is the InChIKey of 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is YLTJISGAJUHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16BrNO/c31-25-12-6-11-22-21-10-5-9-18(29(21)33-30(22)25)17-15-23-19-7-1-3-13-26(19)32-27-14-4-2-8-20(27)24(16-17)28(23)32/h1-16H.
What are the key properties of 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 486.37 g/mol, XLogP of 9.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-bromodibenzofuran-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 139330508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).