N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine

C44H29NO — CID 155304515

IUPACN-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C44H29NO/c1-3-14-30(15-4-1)33-26-34(31-16-5-2-6-17-31)28-35(27-33)45(41-24-13-23-40-39-22-11-12-25-43(39)46-44(40)41)42-29-32-18-7-8-19-36(32)37-20-9-10-21-38(37)42/h1-29H
InChIKeyQELKWNARWITIJY-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine

N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine (PubChem CID 155304515) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine
PubChem CID155304515
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C44H29NO/c1-3-14-30(15-4-1)33-26-34(31-16-5-2-6-17-31)28-35(27-33)45(41-24-13-23-40-39-22-11-12-25-43(39)46-44(40)41)42-29-32-18-7-8-19-36(32)37-20-9-10-21-38(37)42/h1-29H
InChIKeyQELKWNARWITIJY-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502890
N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168789511
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085302
N-naphthalen-1-yl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]phenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 161255997
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170134223
N-phenanthren-9-yl-N-(3-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine
CID 161154090
N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 159977870
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(3,5-diphenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260395
N-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167411494

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine (CID 155304515) is N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine?
The InChIKey is QELKWNARWITIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-14-30(15-4-1)33-26-34(31-16-5-2-6-17-31)28-35(27-33)45(41-24-13-23-40-39-22-11-12-25-43(39)46-44(40)41)42-29-32-18-7-8-19-36(32)37-20-9-10-21-38(37)42/h1-29H.
What are the key properties of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine?
N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine is sourced from PubChem (CID 155304515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).