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

C39H33N — CID 76837378

IUPACN-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1c2ccccc2c(C=Cc2ccc(N(c3ccccc3)c3cccc4c3CCCC4)cc2)c2ccccc12
InChIInChI=1S/C39H33N/c1-28-33-16-7-9-19-36(33)38(37-20-10-8-17-34(28)37)27-24-29-22-25-32(26-23-29)40(31-14-3-2-4-15-31)39-21-11-13-30-12-5-6-18-35(30)39/h2-4,7-11,13-17,19-27H,5-6,12,18H2,1H3
InChIKeyACGUQYDBSBXPCY-UHFFFAOYSA-N
MW515.70 g/mol
LogP10.82
Rot. Bonds5

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

N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 76837378) has the molecular formula C39H33N and a molecular weight of 515.70 g/mol. Its IUPAC name is N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID76837378
Molecular FormulaC39H33N
Molecular Weight515.70 g/mol
Exact Mass515.26
IUPAC NameN-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1c2ccccc2c(C=Cc2ccc(N(c3ccccc3)c3cccc4c3CCCC4)cc2)c2ccccc12
InChIInChI=1S/C39H33N/c1-28-33-16-7-9-19-36(33)38(37-20-10-8-17-34(28)37)27-24-29-22-25-32(26-23-29)40(31-14-3-2-4-15-31)39-21-11-13-30-12-5-6-18-35(30)39/h2-4,7-11,13-17,19-27H,5-6,12,18H2,1H3
InChIKeyACGUQYDBSBXPCY-UHFFFAOYSA-N
XLogP10.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 510.82
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'}

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Related Compounds

N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687
N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine
CID 59012950
N-[4-[(E)-2-[10-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438529
N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
CID 19688920
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
N-(4-chlorophenyl)-3-methyl-N-[4-[(E)-2-(10-methylanthracen-9-yl)ethenyl]phenyl]aniline
CID 58611407
2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 58177582
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
3-[2-[4-(diethylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-naphthalen-1-yl-4-(trifluoromethyl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile;3-[2-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]anthracene-9-carbonitrile
CID 159205136
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 15476311
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
N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20762376

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 76837378) is N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine is Cc1c2ccccc2c(C=Cc2ccc(N(c3ccccc3)c3cccc4c3CCCC4)cc2)c2ccccc12.
What is the InChIKey of N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is ACGUQYDBSBXPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N/c1-28-33-16-7-9-19-36(33)38(37-20-10-8-17-34(28)37)27-24-29-22-25-32(26-23-29)40(31-14-3-2-4-15-31)39-21-11-13-30-12-5-6-18-35(30)39/h2-4,7-11,13-17,19-27H,5-6,12,18H2,1H3.
What are the key properties of N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 515.70 g/mol, XLogP of 10.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 76837378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).