N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine

C58H40N2 — CID 59987787

IUPACN-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c4cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C58H40N2/c1-4-25-46(26-5-1)59(47-27-6-2-7-28-47)49-31-16-23-44(37-49)57-52-34-14-15-35-53(52)58(55-40-43-21-11-10-20-42(43)39-54(55)57)45-24-17-32-50(38-45)60(48-29-8-3-9-30-48)56-36-18-22-41-19-12-13-33-51(41)56/h1-40H
InChIKeyMKPUDUZUAYBSCL-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.57
Rot. Bonds8

About N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine

N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine (PubChem CID 59987787) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
PubChem CID59987787
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c4cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C58H40N2/c1-4-25-46(26-5-1)59(47-27-6-2-7-28-47)49-31-16-23-44(37-49)57-52-34-14-15-35-53(52)58(55-40-43-21-11-10-20-42(43)39-54(55)57)45-24-17-32-50(38-45)60(48-29-8-3-9-30-48)56-36-18-22-41-19-12-13-33-51(41)56/h1-40H
InChIKeyMKPUDUZUAYBSCL-UHFFFAOYSA-N
XLogP16.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
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
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
CID 58758001
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine (CID 59987787) is N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine is c1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c4cc5ccccc5cc34)c2)cc1.
What is the InChIKey of N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine?
The InChIKey is MKPUDUZUAYBSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-25-46(26-5-1)59(47-27-6-2-7-28-47)49-31-16-23-44(37-49)57-52-34-14-15-35-53(52)58(55-40-43-21-11-10-20-42(43)39-54(55)57)45-24-17-32-50(38-45)60(48-29-8-3-9-30-48)56-36-18-22-41-19-12-13-33-51(41)56/h1-40H.
What are the key properties of N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine?
N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine has a molecular weight of 764.97 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 59987787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).