N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine

C44H29NO — CID 167235145

IUPACN-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C44H29NO/c1-3-13-30(14-4-1)36-25-23-32(41-27-31-15-7-8-18-35(31)37-19-9-10-20-38(37)41)28-42(36)45(33-16-5-2-6-17-33)34-24-26-40-39-21-11-12-22-43(39)46-44(40)29-34/h1-29H
InChIKeyYQRKBMRRUQHNJB-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine

N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine (PubChem CID 167235145) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
PubChem CID167235145
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C44H29NO/c1-3-13-30(14-4-1)36-25-23-32(41-27-31-15-7-8-18-35(31)37-19-9-10-20-38(37)41)28-42(36)45(33-16-5-2-6-17-33)34-24-26-40-39-21-11-12-22-43(39)46-44(40)29-34/h1-29H
InChIKeyYQRKBMRRUQHNJB-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

N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-(3-dibenzofuran-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236593
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167234281
N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 170117885
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167235443
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167233790
N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808344
N-(3-dibenzofuran-3-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236553
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297

Frequently Asked Questions

What is the IUPAC name of N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine (CID 167235145) is N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is YQRKBMRRUQHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-13-30(14-4-1)36-25-23-32(41-27-31-15-7-8-18-35(31)37-19-9-10-20-38(37)41)28-42(36)45(33-16-5-2-6-17-33)34-24-26-40-39-21-11-12-22-43(39)46-44(40)29-34/h1-29H.
What are the key properties of N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-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-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 167235145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).