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

C126H81N — CID 59742127

IUPAC4-[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
SMILESC(=C/c1c2ccccc2c(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(/C=C/c7ccccc7)c7ccccc67)c6ccccc56)cc4)c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(/C=C/c7ccccc7)c7ccccc67)c6ccccc56)cc4)cc3)c3ccccc23)c2ccccc12)\c1ccccc1
InChIInChI=1S/C126H81N/c1-4-34-82(35-5-1)64-79-97-91-40-10-16-46-100(91)121(101-47-17-11-41-92(97)101)124-112-58-28-22-52-106(112)118(107-53-23-29-59-113(107)124)85-67-73-88(74-68-85)127(89-75-69-86(70-76-89)119-108-54-24-30-60-114(108)125(115-61-31-25-55-109(115)119)122-102-48-18-12-42-93(102)98(94-43-13-19-49-103(94)122)80-65-83-36-6-2-7-37-83)90-77-71-87(72-78-90)120-110-56-26-32-62-116(110)126(117-63-33-27-57-111(117)120)123-104-50-20-14-44-95(104)99(96-45-15-21-51-105(96)123)81-66-84-38-8-3-9-39-84/h1-81H/b79-64+,80-65+,81-66+
InChIKeyNZBDLPSNNZMQSN-XMDJOEIUSA-N
MW1609.04 g/mol
LogP35.51
Rot. Bonds15

About 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

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 (PubChem CID 59742127) has the molecular formula C126H81N and a molecular weight of 1609.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID59742127
Molecular FormulaC126H81N
Molecular Weight1609.04 g/mol
Exact Mass1607.64
IUPAC Name4-[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
SMILESC(=C/c1c2ccccc2c(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(/C=C/c7ccccc7)c7ccccc67)c6ccccc56)cc4)c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(/C=C/c7ccccc7)c7ccccc67)c6ccccc56)cc4)cc3)c3ccccc23)c2ccccc12)\c1ccccc1
InChIInChI=1S/C126H81N/c1-4-34-82(35-5-1)64-79-97-91-40-10-16-46-100(91)121(101-47-17-11-41-92(97)101)124-112-58-28-22-52-106(112)118(107-53-23-29-59-113(107)124)85-67-73-88(74-68-85)127(89-75-69-86(70-76-89)119-108-54-24-30-60-114(108)125(115-61-31-25-55-109(115)119)122-102-48-18-12-42-93(102)98(94-43-13-19-49-103(94)122)80-65-83-36-6-2-7-37-83)90-77-71-87(72-78-90)120-110-56-26-32-62-116(110)126(117-63-33-27-57-111(117)120)123-104-50-20-14-44-95(104)99(96-45-15-21-51-105(96)123)81-66-84-38-8-3-9-39-84/h1-81H/b79-64+,80-65+,81-66+
InChIKeyNZBDLPSNNZMQSN-XMDJOEIUSA-N
XLogP35.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001609.04
LogP ≤ 535.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
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-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
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
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]aniline;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]aniline;4-[(E)-2-[4-[10-[4-[(E)-1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 158951002
9,10-dinaphthalen-2-ylanthracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 162261204
N-[4-[3-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 76601630
4-[(E)-2-[9,10-diphenyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888011
4-N,4-N-bis[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 22253825
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=C/c1c2ccccc2c(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(/C=C/c7ccccc7)c7ccccc67)c6ccccc56)cc4)c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(/C=C/c7ccccc7)c7ccccc67)c6ccccc56)cc4)cc3)c3ccccc23)c2ccccc12)\c1ccccc1.
What is the InChIKey of 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?
The InChIKey is NZBDLPSNNZMQSN-XMDJOEIUSA-N. The full InChI is InChI=1S/C126H81N/c1-4-34-82(35-5-1)64-79-97-91-40-10-16-46-100(91)121(101-47-17-11-41-92(97)101)124-112-58-28-22-52-106(112)118(107-53-23-29-59-113(107)124)85-67-73-88(74-68-85)127(89-75-69-86(70-76-89)119-108-54-24-30-60-114(108)125(115-61-31-25-55-109(115)119)122-102-48-18-12-42-93(102)98(94-43-13-19-49-103(94)122)80-65-83-36-6-2-7-37-83)90-77-71-87(72-78-90)120-110-56-26-32-62-116(110)126(117-63-33-27-57-111(117)120)123-104-50-20-14-44-95(104)99(96-45-15-21-51-105(96)123)81-66-84-38-8-3-9-39-84/h1-81H/b79-64+,80-65+,81-66+.
What are the key properties of 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?
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 has a molecular weight of 1609.04 g/mol, XLogP of 35.51, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59742127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).