N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine

C78H60N2 — CID 59194350

IUPACN-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc(-c5c6ccccc6c(-c6ccc(N(c7ccccc7)c7cccc8c7CCCC8)cc6)c6ccccc56)c4)c4ccccc34)cc2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C78H60N2/c1-3-27-60(28-4-1)79(64-50-41-53-21-7-8-23-57(53)52-64)62-46-42-55(43-47-62)75-66-32-11-15-36-70(66)77(71-37-16-12-33-67(71)75)58-25-19-26-59(51-58)78-72-38-17-13-34-68(72)76(69-35-14-18-39-73(69)78)56-44-48-63(49-45-56)80(61-29-5-2-6-30-61)74-40-20-24-54-22-9-10-31-65(54)74/h1-6,11-20,24-30,32-52H,7-10,21-23,31H2
InChIKeyDUZGDBBYQFTAQR-UHFFFAOYSA-N
MW1025.35 g/mol
LogP21.66
Rot. Bonds10

About N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine

N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 59194350) has the molecular formula C78H60N2 and a molecular weight of 1025.35 g/mol. Its IUPAC name is N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID59194350
Molecular FormulaC78H60N2
Molecular Weight1025.35 g/mol
Exact Mass1024.48
IUPAC NameN-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc(-c5c6ccccc6c(-c6ccc(N(c7ccccc7)c7cccc8c7CCCC8)cc6)c6ccccc56)c4)c4ccccc34)cc2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C78H60N2/c1-3-27-60(28-4-1)79(64-50-41-53-21-7-8-23-57(53)52-64)62-46-42-55(43-47-62)75-66-32-11-15-36-70(66)77(71-37-16-12-33-67(71)75)58-25-19-26-59(51-58)78-72-38-17-13-34-68(72)76(69-35-14-18-39-73(69)78)56-44-48-63(49-45-56)80(61-29-5-2-6-30-61)74-40-20-24-54-22-9-10-31-65(54)74/h1-6,11-20,24-30,32-52H,7-10,21-23,31H2
InChIKeyDUZGDBBYQFTAQR-UHFFFAOYSA-N
XLogP21.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.35
LogP ≤ 521.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzo[a]fluoren-9-amine
CID 170538869
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine
CID 59412997
4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58184725
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 118178106
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-phenylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121412737

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 59194350) is N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine is c1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc(-c5c6ccccc6c(-c6ccc(N(c7ccccc7)c7cccc8c7CCCC8)cc6)c6ccccc56)c4)c4ccccc34)cc2)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is DUZGDBBYQFTAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N2/c1-3-27-60(28-4-1)79(64-50-41-53-21-7-8-23-57(53)52-64)62-46-42-55(43-47-62)75-66-32-11-15-36-70(66)77(71-37-16-12-33-67(71)75)58-25-19-26-59(51-58)78-72-38-17-13-34-68(72)76(69-35-14-18-39-73(69)78)56-44-48-63(49-45-56)80(61-29-5-2-6-30-61)74-40-20-24-54-22-9-10-31-65(54)74/h1-6,11-20,24-30,32-52H,7-10,21-23,31H2.
What are the key properties of N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 1025.35 g/mol, XLogP of 21.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 59194350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).