N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline

C70H47N — CID 135299426

IUPACN,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)cc4)c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H47N/c1-2-8-48(9-3-1)49-14-16-50(17-15-49)53-30-38-64(39-31-53)71(65-40-32-54(33-41-65)51-18-22-56(23-19-51)60-36-44-69-62(46-60)28-26-58-10-4-6-12-67(58)69)66-42-34-55(35-43-66)52-20-24-57(25-21-52)61-37-45-70-63(47-61)29-27-59-11-5-7-13-68(59)70/h1-47H
InChIKeyJFVSZNOBWUBXFH-UHFFFAOYSA-N
MW902.15 g/mol
LogP19.77
Rot. Bonds9

About N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline

N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 135299426) has the molecular formula C70H47N and a molecular weight of 902.15 g/mol. Its IUPAC name is N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID135299426
Molecular FormulaC70H47N
Molecular Weight902.15 g/mol
Exact Mass901.37
IUPAC NameN,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)cc4)c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H47N/c1-2-8-48(9-3-1)49-14-16-50(17-15-49)53-30-38-64(39-31-53)71(65-40-32-54(33-41-65)51-18-22-56(23-19-51)60-36-44-69-62(46-60)28-26-58-10-4-6-12-67(58)69)66-42-34-55(35-43-66)52-20-24-57(25-21-52)61-37-45-70-63(47-61)29-27-59-11-5-7-13-68(59)70/h1-47H
InChIKeyJFVSZNOBWUBXFH-UHFFFAOYSA-N
XLogP19.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.15
LogP ≤ 519.77
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,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline (CID 135299426) is N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)cc4)c4ccc(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is JFVSZNOBWUBXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N/c1-2-8-48(9-3-1)49-14-16-50(17-15-49)53-30-38-64(39-31-53)71(65-40-32-54(33-41-65)51-18-22-56(23-19-51)60-36-44-69-62(46-60)28-26-58-10-4-6-12-67(58)69)66-42-34-55(35-43-66)52-20-24-57(25-21-52)61-37-45-70-63(47-61)29-27-59-11-5-7-13-68(59)70/h1-47H.
What are the key properties of N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 902.15 g/mol, XLogP of 19.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 135299426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).