N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine

C56H35NO2 — CID 134453715

IUPACN-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3cccc(-c4cccc(N(c5ccc6oc7ccccc7c6c5)c5ccc6oc7ccccc7c6c5)c4)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C56H35NO2/c1-2-14-36(15-3-1)55-47-24-6-4-20-43(47)44-21-5-7-25-48(44)56(55)39-18-12-16-37(32-39)38-17-13-19-40(33-38)57(41-28-30-53-49(34-41)45-22-8-10-26-51(45)58-53)42-29-31-54-50(35-42)46-23-9-11-27-52(46)59-54/h1-35H
InChIKeyPQWXSLMRFAAZSM-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine

N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 134453715) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID134453715
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3cccc(-c4cccc(N(c5ccc6oc7ccccc7c6c5)c5ccc6oc7ccccc7c6c5)c4)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C56H35NO2/c1-2-14-36(15-3-1)55-47-24-6-4-20-43(47)44-21-5-7-25-48(44)56(55)39-18-12-16-37(32-39)38-17-13-19-40(33-38)57(41-28-30-53-49(34-41)45-22-8-10-26-51(45)58-53)42-29-31-54-50(35-42)46-23-9-11-27-52(46)59-54/h1-35H
InChIKeyPQWXSLMRFAAZSM-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
CID 164748014
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzofuran-2-amine
CID 169062543
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
CID 166033125
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-(4-dibenzofuran-1-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169063199

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine (CID 134453715) is N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine is c1ccc(-c2c(-c3cccc(-c4cccc(N(c5ccc6oc7ccccc7c6c5)c5ccc6oc7ccccc7c6c5)c4)c3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is PQWXSLMRFAAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-14-36(15-3-1)55-47-24-6-4-20-43(47)44-21-5-7-25-48(44)56(55)39-18-12-16-37(32-39)38-17-13-19-40(33-38)57(41-28-30-53-49(34-41)45-22-8-10-26-51(45)58-53)42-29-31-54-50(35-42)46-23-9-11-27-52(46)59-54/h1-35H.
What are the key properties of N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 134453715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).