N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline

C74H50N2 — CID 59194325

IUPACN,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc(N(c7ccccc7)c7ccccc7)c6)c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C74H50N2/c1-5-27-53(28-6-1)75(54-29-7-2-8-30-54)57-35-23-25-51(49-57)71-61-39-15-19-43-65(61)73(66-44-20-16-40-62(66)71)69-47-48-70(60-38-14-13-37-59(60)69)74-67-45-21-17-41-63(67)72(64-42-18-22-46-68(64)74)52-26-24-36-58(50-52)76(55-31-9-3-10-32-55)56-33-11-4-12-34-56/h1-50H
InChIKeyIFHZDYJZXYISBS-UHFFFAOYSA-N
MW967.23 g/mol
LogP21.06
Rot. Bonds10

About N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline

N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline (PubChem CID 59194325) has the molecular formula C74H50N2 and a molecular weight of 967.23 g/mol. Its IUPAC name is N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
PubChem CID59194325
Molecular FormulaC74H50N2
Molecular Weight967.23 g/mol
Exact Mass966.40
IUPAC NameN,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc(N(c7ccccc7)c7ccccc7)c6)c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C74H50N2/c1-5-27-53(28-6-1)75(54-29-7-2-8-30-54)57-35-23-25-51(49-57)71-61-39-15-19-43-65(61)73(66-44-20-16-40-62(66)71)69-47-48-70(60-38-14-13-37-59(60)69)74-67-45-21-17-41-63(67)72(64-42-18-22-46-68(64)74)52-26-24-36-58(50-52)76(55-31-9-3-10-32-55)56-33-11-4-12-34-56/h1-50H
InChIKeyIFHZDYJZXYISBS-UHFFFAOYSA-N
XLogP21.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.23
LogP ≤ 521.06
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

3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
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-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974
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
N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
CID 59987787
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline?
The IUPAC name of N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline (CID 59194325) is N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline is c1ccc(N(c2ccccc2)c2cccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc(N(c7ccccc7)c7ccccc7)c6)c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline?
The InChIKey is IFHZDYJZXYISBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2/c1-5-27-53(28-6-1)75(54-29-7-2-8-30-54)57-35-23-25-51(49-57)71-61-39-15-19-43-65(61)73(66-44-20-16-40-62(66)71)69-47-48-70(60-38-14-13-37-59(60)69)74-67-45-21-17-41-63(67)72(64-42-18-22-46-68(64)74)52-26-24-36-58(50-52)76(55-31-9-3-10-32-55)56-33-11-4-12-34-56/h1-50H.
What are the key properties of N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline?
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline has a molecular weight of 967.23 g/mol, XLogP of 21.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline is sourced from PubChem (CID 59194325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).