N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine

C45H30N2 — CID 59390708

IUPACN-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(N(c3ccccn3)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C45H30N2/c1-2-16-31(17-3-1)33-19-6-9-23-37(33)44-38-24-10-12-26-40(38)45(41-27-13-11-25-39(41)44)47(43-28-14-15-29-46-43)42-30-32-18-4-5-20-34(32)35-21-7-8-22-36(35)42/h1-30H
InChIKeyUIXRFHSIYAPPOY-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.50
Rot. Bonds5

About N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine

N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine (PubChem CID 59390708) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine
PubChem CID59390708
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC NameN-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(N(c3ccccn3)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C45H30N2/c1-2-16-31(17-3-1)33-19-6-9-23-37(33)44-38-24-10-12-26-40(38)45(41-27-13-11-25-39(41)44)47(43-28-14-15-29-46-43)42-30-32-18-4-5-20-34(32)35-21-7-8-22-36(35)42/h1-30H
InChIKeyUIXRFHSIYAPPOY-UHFFFAOYSA-N
XLogP12.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-naphthalen-2-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-phenyl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-(2-phenylphenyl)-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine
CID 160580766
N-(2-phenylphenyl)-N-[10-(3-phenylphenyl)anthracen-9-yl]pyridin-2-amine
CID 59390590
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502818
N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 163910164
N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168789511
N-(10-phenylanthracen-9-yl)-N-(3-phenylphenyl)pyridin-2-amine
CID 59390876
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine
CID 59372246
1-N,6-N-diphenyl-3,8-bis(2-phenylphenyl)-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine
CID 58383820
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 169062597

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine?
The IUPAC name of N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine (CID 59390708) is N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine is c1ccc(-c2ccccc2-c2c3ccccc3c(N(c3ccccn3)c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine?
The InChIKey is UIXRFHSIYAPPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-2-16-31(17-3-1)33-19-6-9-23-37(33)44-38-24-10-12-26-40(38)45(41-27-13-11-25-39(41)44)47(43-28-14-15-29-46-43)42-30-32-18-4-5-20-34(32)35-21-7-8-22-36(35)42/h1-30H.
What are the key properties of N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine?
N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine has a molecular weight of 598.75 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine is sourced from PubChem (CID 59390708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).