6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine

C78H68N2 — CID 59412997

IUPAC6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine
SMILESC(=C/c1ccc(N(c2ccc3c(c2)CCCC3)c2ccc3c(c2)CCCC3)c2ccccc12)\c1ccc2c(-c3ccccc3)c3cc(N(c4ccc5c(c4)CCCC5)c4ccc5c(c4)CCCC5)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C78H68N2/c1-3-21-59(22-4-1)77-73-45-43-69(79(65-39-34-54-17-7-11-25-61(54)48-65)66-40-35-55-18-8-12-26-62(55)49-66)52-75(73)78(60-23-5-2-6-24-60)72-44-32-53(47-74(72)77)31-33-58-38-46-76(71-30-16-15-29-70(58)71)80(67-41-36-56-19-9-13-27-63(56)50-67)68-42-37-57-20-10-14-28-64(57)51-68/h1-6,15-16,21-24,29-52H,7-14,17-20,25-28H2/b33-31+
InChIKeyNIQYVZKOFLQSOW-QOSDPKFLSA-N
MW1033.42 g/mol
LogP21.11
Rot. Bonds10

About 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine

6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine (PubChem CID 59412997) has the molecular formula C78H68N2 and a molecular weight of 1033.42 g/mol. Its IUPAC name is 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine.

Molecular Properties

Compound Name6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine
PubChem CID59412997
Molecular FormulaC78H68N2
Molecular Weight1033.42 g/mol
Exact Mass1032.54
IUPAC Name6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine
SMILESC(=C/c1ccc(N(c2ccc3c(c2)CCCC3)c2ccc3c(c2)CCCC3)c2ccccc12)\c1ccc2c(-c3ccccc3)c3cc(N(c4ccc5c(c4)CCCC5)c4ccc5c(c4)CCCC5)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C78H68N2/c1-3-21-59(22-4-1)77-73-45-43-69(79(65-39-34-54-17-7-11-25-61(54)48-65)66-40-35-55-18-8-12-26-62(55)49-66)52-75(73)78(60-23-5-2-6-24-60)72-44-32-53(47-74(72)77)31-33-58-38-46-76(71-30-16-15-29-70(58)71)80(67-41-36-56-19-9-13-27-63(56)50-67)68-42-37-57-20-10-14-28-64(57)51-68/h1-6,15-16,21-24,29-52H,7-14,17-20,25-28H2/b33-31+
InChIKeyNIQYVZKOFLQSOW-QOSDPKFLSA-N
XLogP21.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.42
LogP ≤ 521.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine with MolForge

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Related Compounds

4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
CID 123236013
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-amine
CID 59412951
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
4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
CID 123864125
4-[(E)-2-[9,10-diphenyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888011
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
CID 89065381
4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
CID 19030131
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
CID 59412956
9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 88909395
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

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine?
The IUPAC name of 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine (CID 59412997) is 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine.
What is the SMILES notation for 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine?
The canonical SMILES for 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine is C(=C/c1ccc(N(c2ccc3c(c2)CCCC3)c2ccc3c(c2)CCCC3)c2ccccc12)\c1ccc2c(-c3ccccc3)c3cc(N(c4ccc5c(c4)CCCC5)c4ccc5c(c4)CCCC5)ccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine?
The InChIKey is NIQYVZKOFLQSOW-QOSDPKFLSA-N. The full InChI is InChI=1S/C78H68N2/c1-3-21-59(22-4-1)77-73-45-43-69(79(65-39-34-54-17-7-11-25-61(54)48-65)66-40-35-55-18-8-12-26-62(55)49-66)52-75(73)78(60-23-5-2-6-24-60)72-44-32-53(47-74(72)77)31-33-58-38-46-76(71-30-16-15-29-70(58)71)80(67-41-36-56-19-9-13-27-63(56)50-67)68-42-37-57-20-10-14-28-64(57)51-68/h1-6,15-16,21-24,29-52H,7-14,17-20,25-28H2/b33-31+.
What are the key properties of 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine?
6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine has a molecular weight of 1033.42 g/mol, XLogP of 21.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[4-[bis(5,6,7,8-tetrahydronaphthalen-2-yl)amino]naphthalen-1-yl]ethenyl]-9,10-diphenyl-N,N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)anthracen-2-amine is sourced from PubChem (CID 59412997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).