8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C40H30BrNO — CID 155327596

IUPAC8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)C2=C(CC=CC=C2)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(Br)cc5c4c3)cccc21
InChIInChI=1S/C40H30BrNO/c1-40(2)34-13-8-4-7-12-31(34)39-35(40)14-9-15-36(39)42(29-19-16-27(17-20-29)26-10-5-3-6-11-26)30-21-23-38-33(25-30)32-24-28(41)18-22-37(32)43-38/h3-11,13-25H,12H2,1-2H3
InChIKeyQPHMRKUUNWJFLL-UHFFFAOYSA-N
MW620.59 g/mol
LogP12.05
Rot. Bonds4

About 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine

8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 155327596) has the molecular formula C40H30BrNO and a molecular weight of 620.59 g/mol. Its IUPAC name is 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID155327596
Molecular FormulaC40H30BrNO
Molecular Weight620.59 g/mol
Exact Mass619.15
IUPAC Name8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)C2=C(CC=CC=C2)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(Br)cc5c4c3)cccc21
InChIInChI=1S/C40H30BrNO/c1-40(2)34-13-8-4-7-12-31(34)39-35(40)14-9-15-36(39)42(29-19-16-27(17-20-29)26-10-5-3-6-11-26)30-21-23-38-33(25-30)32-24-28(41)18-22-37(32)43-38/h3-11,13-25H,12H2,1-2H3
InChIKeyQPHMRKUUNWJFLL-UHFFFAOYSA-N
XLogP12.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.59
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine
CID 142515801
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 159125994
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90125906
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 155327596) is 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine is CC1(C)C2=C(CC=CC=C2)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(Br)cc5c4c3)cccc21.
What is the InChIKey of 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is QPHMRKUUNWJFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30BrNO/c1-40(2)34-13-8-4-7-12-31(34)39-35(40)14-9-15-36(39)42(29-19-16-27(17-20-29)26-10-5-3-6-11-26)30-21-23-38-33(25-30)32-24-28(41)18-22-37(32)43-38/h3-11,13-25H,12H2,1-2H3.
What are the key properties of 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 620.59 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 155327596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).