N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine

C66H43N — CID 169062488

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7c6ccc6ccccc67)cc5)c5cccc6c5ccc5ccccc56)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-3-17-48(18-4-1)65-62-24-12-11-23-58(62)60-41-35-50(43-63(60)66(65)49-19-5-2-6-20-49)44-29-36-51(37-30-44)67(64-28-14-27-57-54-22-10-8-16-46(54)34-42-61(57)64)52-38-31-47(32-39-52)55-25-13-26-56-53-21-9-7-15-45(53)33-40-59(55)56/h1-43H
InChIKeyHVHBMDWHMSNQBX-UHFFFAOYSA-N
MW850.08 g/mol
LogP18.74
Rot. Bonds7

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine (PubChem CID 169062488) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
PubChem CID169062488
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7c6ccc6ccccc67)cc5)c5cccc6c5ccc5ccccc56)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-3-17-48(18-4-1)65-62-24-12-11-23-58(62)60-41-35-50(43-63(60)66(65)49-19-5-2-6-20-49)44-29-36-51(37-30-44)67(64-28-14-27-57-54-22-10-8-16-46(54)34-42-61(57)64)52-38-31-47(32-39-52)55-25-13-26-56-53-21-9-7-15-45(53)33-40-59(55)56/h1-43H
InChIKeyHVHBMDWHMSNQBX-UHFFFAOYSA-N
XLogP18.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 169063067
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
CID 169064330
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-2-amine
CID 169064424
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 169063864
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169062474
4-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 169064723
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-6-phenylnaphthalen-2-amine
CID 169065413
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine
CID 169065529

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine (CID 169062488) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7c6ccc6ccccc67)cc5)c5cccc6c5ccc5ccccc56)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine?
The InChIKey is HVHBMDWHMSNQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-3-17-48(18-4-1)65-62-24-12-11-23-58(62)60-41-35-50(43-63(60)66(65)49-19-5-2-6-20-49)44-29-36-51(37-30-44)67(64-28-14-27-57-54-22-10-8-16-46(54)34-42-61(57)64)52-38-31-47(32-39-52)55-25-13-26-56-53-21-9-7-15-45(53)33-40-59(55)56/h1-43H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine has a molecular weight of 850.08 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine is sourced from PubChem (CID 169062488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).