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

C66H43N — CID 169062386

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc6c(ccc7ccccc76)c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-3-15-48(16-4-1)65-63-22-12-11-21-61(63)62-39-32-51(43-64(62)66(65)49-17-5-2-6-18-49)45-29-35-55(36-30-45)67(56-37-40-60-53(42-56)26-24-47-14-8-10-20-58(47)60)54-33-27-44(28-34-54)50-31-38-59-52(41-50)25-23-46-13-7-9-19-57(46)59/h1-43H
InChIKeyLYRFRFRFQNBBNQ-UHFFFAOYSA-N
MW850.08 g/mol
LogP18.74
Rot. Bonds7

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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine (PubChem CID 169062386) 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-2-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
PubChem CID169062386
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc6c(ccc7ccccc76)c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-3-15-48(16-4-1)65-63-22-12-11-21-61(63)62-39-32-51(43-64(62)66(65)49-17-5-2-6-18-49)45-29-35-55(36-30-45)67(56-37-40-60-53(42-56)26-24-47-14-8-10-20-58(47)60)54-33-27-44(28-34-54)50-31-38-59-52(41-50)25-23-46-13-7-9-19-57(46)59/h1-43H
InChIKeyLYRFRFRFQNBBNQ-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-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
CID 169064330
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-6-phenylnaphthalen-2-amine
CID 169065413
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 169064583
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine (CID 169062386) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc6c(ccc7ccccc76)c5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?
The InChIKey is LYRFRFRFQNBBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-3-15-48(16-4-1)65-63-22-12-11-21-61(63)62-39-32-51(43-64(62)66(65)49-17-5-2-6-18-49)45-29-35-55(36-30-45)67(56-37-40-60-53(42-56)26-24-47-14-8-10-20-58(47)60)54-33-27-44(28-34-54)50-31-38-59-52(41-50)25-23-46-13-7-9-19-57(46)59/h1-43H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-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-2-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 169062386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).