N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine

C74H47N — CID 59308295

IUPACN-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6cc(N(c7cc8ccccc8c8ccccc78)c7cc8ccccc8c8ccccc78)ccc6c5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C74H47N/c1-4-20-48(21-5-1)67-47-68(49-22-6-2-7-23-49)73-65-35-19-16-32-62(65)69-44-54(39-41-66(69)74(73)72(67)50-24-8-3-9-25-50)51-36-37-53-43-57(40-38-52(53)42-51)75(70-45-55-26-10-12-28-58(55)60-30-14-17-33-63(60)70)71-46-56-27-11-13-29-59(56)61-31-15-18-34-64(61)71/h1-47H
InChIKeyFNXRETZFJJGCJN-UHFFFAOYSA-N
MW950.20 g/mol
LogP21.05
Rot. Bonds7

About N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine

N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine (PubChem CID 59308295) has the molecular formula C74H47N and a molecular weight of 950.20 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
PubChem CID59308295
Molecular FormulaC74H47N
Molecular Weight950.20 g/mol
Exact Mass949.37
IUPAC NameN-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6cc(N(c7cc8ccccc8c8ccccc78)c7cc8ccccc8c8ccccc78)ccc6c5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C74H47N/c1-4-20-48(21-5-1)67-47-68(49-22-6-2-7-23-49)73-65-35-19-16-32-62(65)69-44-54(39-41-66(69)74(73)72(67)50-24-8-3-9-25-50)51-36-37-53-43-57(40-38-52(53)42-51)75(70-45-55-26-10-12-28-58(55)60-30-14-17-33-63(60)70)71-46-56-27-11-13-29-59(56)61-31-15-18-34-64(61)71/h1-47H
InChIKeyFNXRETZFJJGCJN-UHFFFAOYSA-N
XLogP21.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.20
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
CID 159285564
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531
4-[phenanthren-9-yl-(5,6,8-triphenyltriphenylen-2-yl)amino]benzenethiol
CID 89072735
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59307858

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine?
The IUPAC name of N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine (CID 59308295) is N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6cc(N(c7cc8ccccc8c8ccccc78)c7cc8ccccc8c8ccccc78)ccc6c5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine?
The InChIKey is FNXRETZFJJGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47N/c1-4-20-48(21-5-1)67-47-68(49-22-6-2-7-23-49)73-65-35-19-16-32-62(65)69-44-54(39-41-66(69)74(73)72(67)50-24-8-3-9-25-50)51-36-37-53-43-57(40-38-52(53)42-51)75(70-45-55-26-10-12-28-58(55)60-30-14-17-33-63(60)70)71-46-56-27-11-13-29-59(56)61-31-15-18-34-64(61)71/h1-47H.
What are the key properties of N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine?
N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine has a molecular weight of 950.20 g/mol, XLogP of 21.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine is sourced from PubChem (CID 59308295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).