N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine

C88H58N2 — CID 155303334

IUPACN-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c5ccccc5c5ccccc45)c3)c3ccccc23)c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C88H58N2/c1-3-26-60(27-4-1)71-38-21-22-50-83(71)90(88-81-48-20-15-43-76(81)73-40-12-17-45-78(73)85(88)63-30-5-2-6-31-63)84-57-56-69(72-39-11-16-44-77(72)84)64-34-23-35-65(58-64)86-79-46-18-13-41-74(79)75-42-14-19-47-80(75)87(86)89(82-51-25-33-61-29-8-10-37-70(61)82)66-54-52-62(53-55-66)68-49-24-32-59-28-7-9-36-67(59)68/h1-58H
InChIKeyLPOCGNLNFAQJNV-UHFFFAOYSA-N
MW1143.45 g/mol
LogP25.03
Rot. Bonds11

About N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine

N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine (PubChem CID 155303334) has the molecular formula C88H58N2 and a molecular weight of 1143.45 g/mol. Its IUPAC name is N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
PubChem CID155303334
Molecular FormulaC88H58N2
Molecular Weight1143.45 g/mol
Exact Mass1142.46
IUPAC NameN-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c5ccccc5c5ccccc45)c3)c3ccccc23)c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C88H58N2/c1-3-26-60(27-4-1)71-38-21-22-50-83(71)90(88-81-48-20-15-43-76(81)73-40-12-17-45-78(73)85(88)63-30-5-2-6-31-63)84-57-56-69(72-39-11-16-44-77(72)84)64-34-23-35-65(58-64)86-79-46-18-13-41-74(79)75-42-14-19-47-80(75)87(86)89(82-51-25-33-61-29-8-10-37-70(61)82)66-54-52-62(53-55-66)68-49-24-32-59-28-7-9-36-67(59)68/h1-58H
InChIKeyLPOCGNLNFAQJNV-UHFFFAOYSA-N
XLogP25.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.45
LogP ≤ 525.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine
CID 155304882
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155305498
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303869
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155303754
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155304881

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine (CID 155303334) is N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c5ccccc5c5ccccc45)c3)c3ccccc23)c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
The InChIKey is LPOCGNLNFAQJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H58N2/c1-3-26-60(27-4-1)71-38-21-22-50-83(71)90(88-81-48-20-15-43-76(81)73-40-12-17-45-78(73)85(88)63-30-5-2-6-31-63)84-57-56-69(72-39-11-16-44-77(72)84)64-34-23-35-65(58-64)86-79-46-18-13-41-74(79)75-42-14-19-47-80(75)87(86)89(82-51-25-33-61-29-8-10-37-70(61)82)66-54-52-62(53-55-66)68-49-24-32-59-28-7-9-36-67(59)68/h1-58H.
What are the key properties of N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine?
N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine has a molecular weight of 1143.45 g/mol, XLogP of 25.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155303334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).