6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C104H68N2 — CID 170141997

IUPAC6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc(-c5cc6c7cccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccccc%10-c%10cccc%11ccccc%10%11)cc9)cc8)c7ccc6c6ccccc56)cc4)c3)cc2)c2ccc3cc(-c4cccc5c4ccc4c6ccccc6ccc54)ccc3c2)cc1
InChIInChI=1S/C104H68N2/c1-3-24-82(25-4-1)105(86-59-53-79-66-81(48-47-80(79)67-86)90-34-18-36-93-98(90)62-61-97-88-29-10-8-20-74(88)54-60-99(93)97)84-55-51-72(52-56-84)78-23-15-22-77(65-78)71-41-45-76(46-42-71)102-68-103-95-37-17-33-89(96(95)63-64-100(103)92-30-11-12-31-94(92)102)75-43-39-69(40-44-75)70-49-57-85(58-50-70)106(83-26-5-2-6-27-83)104-38-14-13-32-101(104)91-35-16-21-73-19-7-9-28-87(73)91/h1-68H
InChIKeyUSHYGOSIHZMJID-UHFFFAOYSA-N
MW1345.70 g/mol
LogP29.52
Rot. Bonds13

About 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 170141997) has the molecular formula C104H68N2 and a molecular weight of 1345.70 g/mol. Its IUPAC name is 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID170141997
Molecular FormulaC104H68N2
Molecular Weight1345.70 g/mol
Exact Mass1344.54
IUPAC Name6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc(-c5cc6c7cccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccccc%10-c%10cccc%11ccccc%10%11)cc9)cc8)c7ccc6c6ccccc56)cc4)c3)cc2)c2ccc3cc(-c4cccc5c4ccc4c6ccccc6ccc54)ccc3c2)cc1
InChIInChI=1S/C104H68N2/c1-3-24-82(25-4-1)105(86-59-53-79-66-81(48-47-80(79)67-86)90-34-18-36-93-98(90)62-61-97-88-29-10-8-20-74(88)54-60-99(93)97)84-55-51-72(52-56-84)78-23-15-22-77(65-78)71-41-45-76(46-42-71)102-68-103-95-37-17-33-89(96(95)63-64-100(103)92-30-11-12-31-94(92)102)75-43-39-69(40-44-75)70-49-57-85(58-50-70)106(83-26-5-2-6-27-83)104-38-14-13-32-101(104)91-35-16-21-73-19-7-9-28-87(73)91/h1-68H
InChIKeyUSHYGOSIHZMJID-UHFFFAOYSA-N
XLogP29.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.70
LogP ≤ 529.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601
ethane;7-naphthalen-1-yl-N,N-diphenylphenanthren-2-amine;8-naphthalen-1-yl-N,N-diphenylphenanthren-1-amine;4-naphthalen-1-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;5-naphthalen-1-yl-N-(5-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 160719608
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163563772
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173

Frequently Asked Questions

What is the IUPAC name of 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 170141997) is 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3cccc(-c4ccc(-c5cc6c7cccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccccc%10-c%10cccc%11ccccc%10%11)cc9)cc8)c7ccc6c6ccccc56)cc4)c3)cc2)c2ccc3cc(-c4cccc5c4ccc4c6ccccc6ccc54)ccc3c2)cc1.
What is the InChIKey of 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is USHYGOSIHZMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H68N2/c1-3-24-82(25-4-1)105(86-59-53-79-66-81(48-47-80(79)67-86)90-34-18-36-93-98(90)62-61-97-88-29-10-8-20-74(88)54-60-99(93)97)84-55-51-72(52-56-84)78-23-15-22-77(65-78)71-41-45-76(46-42-71)102-68-103-95-37-17-33-89(96(95)63-64-100(103)92-30-11-12-31-94(92)102)75-43-39-69(40-44-75)70-49-57-85(58-50-70)106(83-26-5-2-6-27-83)104-38-14-13-32-101(104)91-35-16-21-73-19-7-9-28-87(73)91/h1-68H.
What are the key properties of 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 1345.70 g/mol, XLogP of 29.52, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 170141997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).