1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine

C90H66N4 — CID 22983474

IUPAC1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)cc3)c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C90H66N4/c1-7-23-67(24-8-1)39-41-69-43-51-77(52-44-69)92(75-31-15-5-16-32-75)81-59-63-83(64-60-81)94(84-65-61-82(62-66-84)93(76-33-17-6-18-34-76)78-53-45-70(46-54-78)42-40-68-25-9-2-10-26-68)80-57-49-72(50-58-80)90-87-37-21-19-35-85(87)89(86-36-20-22-38-88(86)90)71-47-55-79(56-48-71)91(73-27-11-3-12-28-73)74-29-13-4-14-30-74/h1-66H/b41-39+,42-40+
InChIKeyWLUKEFSDLNKDMM-LMXNTIJMSA-N
MW1203.55 g/mol
LogP25.55
Rot. Bonds18

About 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine

1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine (PubChem CID 22983474) has the molecular formula C90H66N4 and a molecular weight of 1203.55 g/mol. Its IUPAC name is 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
PubChem CID22983474
Molecular FormulaC90H66N4
Molecular Weight1203.55 g/mol
Exact Mass1202.53
IUPAC Name1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)cc3)c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C90H66N4/c1-7-23-67(24-8-1)39-41-69-43-51-77(52-44-69)92(75-31-15-5-16-32-75)81-59-63-83(64-60-81)94(84-65-61-82(62-66-84)93(76-33-17-6-18-34-76)78-53-45-70(46-54-78)42-40-68-25-9-2-10-26-68)80-57-49-72(50-58-80)90-87-37-21-19-35-85(87)89(86-36-20-22-38-88(86)90)71-47-55-79(56-48-71)91(73-27-11-3-12-28-73)74-29-13-4-14-30-74/h1-66H/b41-39+,42-40+
InChIKeyWLUKEFSDLNKDMM-LMXNTIJMSA-N
XLogP25.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.55
LogP ≤ 525.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
4-[10-[10-[(E)-2-phenylethenyl]anthracen-9-yl]anthracen-9-yl]-N,N-bis[4-[10-[10-[(E)-2-phenylethenyl]anthracen-9-yl]anthracen-9-yl]phenyl]aniline
CID 59742127
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
9,10-dinaphthalen-2-ylanthracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 162261204
4-[(E)-2-[9,10-diphenyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888011
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine (CID 22983474) is 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine is C(=C/c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)cc3)c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine?
The InChIKey is WLUKEFSDLNKDMM-LMXNTIJMSA-N. The full InChI is InChI=1S/C90H66N4/c1-7-23-67(24-8-1)39-41-69-43-51-77(52-44-69)92(75-31-15-5-16-32-75)81-59-63-83(64-60-81)94(84-65-61-82(62-66-84)93(76-33-17-6-18-34-76)78-53-45-70(46-54-78)42-40-68-25-9-2-10-26-68)80-57-49-72(50-58-80)90-87-37-21-19-35-85(87)89(86-36-20-22-38-88(86)90)71-47-55-79(56-48-71)91(73-27-11-3-12-28-73)74-29-13-4-14-30-74/h1-66H/b41-39+,42-40+.
What are the key properties of 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine?
1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine has a molecular weight of 1203.55 g/mol, XLogP of 25.55, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 22983474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).