[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine

C25H17NO — CID 145447482

IUPAC[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine
SMILES[H]/N=C/c1cccc2oc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12
InChIInChI=1S/C25H17NO/c26-16-21-7-4-8-24-25(21)22-15-20(13-14-23(22)27-24)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,26H/b26-16+
InChIKeyURGKGQQZZNVCBU-WGOQTCKBSA-N
MW347.42 g/mol
LogP6.92
Rot. Bonds3

About [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine

[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine (PubChem CID 145447482) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine.

Molecular Properties

Compound Name[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine
PubChem CID145447482
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine
SMILES[H]/N=C/c1cccc2oc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12
InChIInChI=1S/C25H17NO/c26-16-21-7-4-8-24-25(21)22-15-20(13-14-23(22)27-24)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,26H/b26-16+
InChIKeyURGKGQQZZNVCBU-WGOQTCKBSA-N
XLogP6.92
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine
CID 145447318
[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
CID 156643036
(8-chrysen-2-yldibenzofuran-1-yl)methanimine;phenylmethanamine;toluene
CID 145447641
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
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)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 142487755
1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454
(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
CID 145447951
5,18-diphenyl-11-(3-phenylphenyl)-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 58004208
(8-phenyldibenzofuran-1-yl)boronic acid
CID 123712024
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[3-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 160960033
8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167397321
7-[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]-16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 142487650

Frequently Asked Questions

What is the IUPAC name of [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine?
The IUPAC name of [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine (CID 145447482) is [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine.
What is the SMILES notation for [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine?
The canonical SMILES for [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine is [H]/N=C/c1cccc2oc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12.
What is the InChIKey of [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine?
The InChIKey is URGKGQQZZNVCBU-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H17NO/c26-16-21-7-4-8-24-25(21)22-15-20(13-14-23(22)27-24)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,26H/b26-16+.
What are the key properties of [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine?
[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine has a molecular weight of 347.42 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine is sourced from PubChem (CID 145447482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).