N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine

C66H43N — CID 169064330

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-3-17-47(18-4-1)65-62-26-12-11-25-59(62)60-39-35-51(43-63(60)66(65)48-19-5-2-6-20-48)49-21-13-22-54(42-49)67(64-28-14-27-58-56-24-10-8-16-46(56)33-40-61(58)64)53-36-31-44(32-37-53)50-34-38-57-52(41-50)30-29-45-15-7-9-23-55(45)57/h1-43H
InChIKeyGNCWUEUUCNUPAK-UHFFFAOYSA-N
MW850.08 g/mol
LogP18.74
Rot. Bonds7

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine (PubChem CID 169064330) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
PubChem CID169064330
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-3-17-47(18-4-1)65-62-26-12-11-25-59(62)60-39-35-51(43-63(60)66(65)48-19-5-2-6-20-48)49-21-13-22-54(42-49)67(64-28-14-27-58-56-24-10-8-16-46(56)33-40-61(58)64)53-36-31-44(32-37-53)50-34-38-57-52(41-50)30-29-45-15-7-9-23-55(45)57/h1-43H
InChIKeyGNCWUEUUCNUPAK-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-naphthalen-1-ylphenanthren-2-amine
CID 169064424
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 169064123
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine
CID 169065529
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-6-phenylnaphthalen-2-amine
CID 169065413
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
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-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 169063067
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine (CID 169064330) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine?
The InChIKey is GNCWUEUUCNUPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-3-17-47(18-4-1)65-62-26-12-11-25-59(62)60-39-35-51(43-63(60)66(65)48-19-5-2-6-20-48)49-21-13-22-54(42-49)67(64-28-14-27-58-56-24-10-8-16-46(56)33-40-61(58)64)53-36-31-44(32-37-53)50-34-38-57-52(41-50)30-29-45-15-7-9-23-55(45)57/h1-43H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine is sourced from PubChem (CID 169064330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).