[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine

C33H21NO — CID 145447318

IUPAC[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine
SMILES[H]/N=C/c1cccc2oc3ccc(-c4ccc5c(ccc6ccc(-c7ccccc7)cc65)c4)cc3c12
InChIInChI=1S/C33H21NO/c34-20-27-7-4-8-32-33(27)30-19-25(14-16-31(30)35-32)23-13-15-28-26(17-23)12-10-22-9-11-24(18-29(22)28)21-5-2-1-3-6-21/h1-20,34H/b34-20+
InChIKeyZANSNWMPMKNQEM-QXUDOOCXSA-N
MW447.54 g/mol
LogP9.22
Rot. Bonds3

About [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine

[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine (PubChem CID 145447318) has the molecular formula C33H21NO and a molecular weight of 447.54 g/mol. Its IUPAC name is [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine.

Molecular Properties

Compound Name[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine
PubChem CID145447318
Molecular FormulaC33H21NO
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC Name[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine
SMILES[H]/N=C/c1cccc2oc3ccc(-c4ccc5c(ccc6ccc(-c7ccccc7)cc65)c4)cc3c12
InChIInChI=1S/C33H21NO/c34-20-27-7-4-8-32-33(27)30-19-25(14-16-31(30)35-32)23-13-15-28-26(17-23)12-10-22-9-11-24(18-29(22)28)21-5-2-1-3-6-21/h1-20,34H/b34-20+
InChIKeyZANSNWMPMKNQEM-QXUDOOCXSA-N
XLogP9.22
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine
CID 145447482
(8-chrysen-2-yldibenzofuran-1-yl)methanimine;phenylmethanamine;toluene
CID 145447641
[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
CID 156643036
6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
CID 102362989
2-(8-phenanthren-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142353054
2-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170927190
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
4-[8-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-phenanthren-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-phenanthren-3-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine
CID 157292655
3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810427
2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
CID 58569217
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839

Frequently Asked Questions

What is the IUPAC name of [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine?
The IUPAC name of [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine (CID 145447318) is [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine.
What is the SMILES notation for [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine?
The canonical SMILES for [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine is [H]/N=C/c1cccc2oc3ccc(-c4ccc5c(ccc6ccc(-c7ccccc7)cc65)c4)cc3c12.
What is the InChIKey of [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine?
The InChIKey is ZANSNWMPMKNQEM-QXUDOOCXSA-N. The full InChI is InChI=1S/C33H21NO/c34-20-27-7-4-8-32-33(27)30-19-25(14-16-31(30)35-32)23-13-15-28-26(17-23)12-10-22-9-11-24(18-29(22)28)21-5-2-1-3-6-21/h1-20,34H/b34-20+.
What are the key properties of [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine?
[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine has a molecular weight of 447.54 g/mol, XLogP of 9.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine is sourced from PubChem (CID 145447318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).