[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine

C25H21NO — CID 145447503

IUPAC[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine
SMILESNCc1cccc2oc3ccc(C4=CCCC(c5ccccc5)=C4)cc3c12
InChIInChI=1S/C25H21NO/c26-16-21-10-5-11-24-25(21)22-15-20(12-13-23(22)27-24)19-9-4-8-18(14-19)17-6-2-1-3-7-17/h1-3,5-7,9-15H,4,8,16,26H2
InChIKeyBQERFTHPOGGQET-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.31
Rot. Bonds3

About [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine

[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine (PubChem CID 145447503) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine.

Molecular Properties

Compound Name[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine
PubChem CID145447503
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine
SMILESNCc1cccc2oc3ccc(C4=CCCC(c5ccccc5)=C4)cc3c12
InChIInChI=1S/C25H21NO/c26-16-21-10-5-11-24-25(21)22-15-20(12-13-23(22)27-24)19-9-4-8-18(14-19)17-6-2-1-3-7-17/h1-3,5-7,9-15H,4,8,16,26H2
InChIKeyBQERFTHPOGGQET-UHFFFAOYSA-N
XLogP6.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

20-[5-(10-phenylanthracen-9-yl)cyclohexa-1,5-dien-1-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 163563234
2-phenyl-3-[3-[2-(5-phenylcyclohexa-1,5-dien-1-yl)-8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 123731078
6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran
CID 164736757
1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran
CID 138618022
(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yldibenzofuran-1-yl)methanamine
CID 176917178
2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927151
5-[3-(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-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 169131805
N-[4-[5-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 145067471
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 142515649
2-(5-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 137397562
6-(5-methylcyclohexa-1,5-dien-1-yl)-21-(3-methylphenyl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 70923701

Frequently Asked Questions

What is the IUPAC name of [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine?
The IUPAC name of [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine (CID 145447503) is [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine.
What is the SMILES notation for [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine?
The canonical SMILES for [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine is NCc1cccc2oc3ccc(C4=CCCC(c5ccccc5)=C4)cc3c12.
What is the InChIKey of [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine?
The InChIKey is BQERFTHPOGGQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c26-16-21-10-5-11-24-25(21)22-15-20(12-13-23(22)27-24)19-9-4-8-18(14-19)17-6-2-1-3-7-17/h1-3,5-7,9-15H,4,8,16,26H2.
What are the key properties of [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine?
[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine has a molecular weight of 351.45 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine is sourced from PubChem (CID 145447503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).