2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile

C80H48N4 — CID 159435282

IUPAC2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2cc(-c2ccc4ccccc4c2)c2ccccc23)cc1.N#Cc1ccccc1-c1cc(-c2ccc3ccccc3c2)nc2c1cc(-c1ccc3ccccc3c1)c1ccccc12
InChIInChI=1S/2C40H24N2/c41-25-32-13-5-6-14-33(32)37-24-39(31-20-18-27-10-2-4-12-29(27)22-31)42-40-35-16-8-7-15-34(35)36(23-38(37)40)30-19-17-26-9-1-3-11-28(26)21-30;41-25-26-13-15-29(16-14-26)37-24-39(33-20-18-28-8-2-4-10-31(28)22-33)42-40-35-12-6-5-11-34(35)36(23-38(37)40)32-19-17-27-7-1-3-9-30(27)21-32/h2*1-24H
InChIKeyLRMQVMYMIHBTPY-UHFFFAOYSA-N
MW1065.29 g/mol
LogP21.13
Rot. Bonds6

About 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile

2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile (PubChem CID 159435282) has the molecular formula C80H48N4 and a molecular weight of 1065.29 g/mol. Its IUPAC name is 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile
PubChem CID159435282
Molecular FormulaC80H48N4
Molecular Weight1065.29 g/mol
Exact Mass1064.39
IUPAC Name2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2cc(-c2ccc4ccccc4c2)c2ccccc23)cc1.N#Cc1ccccc1-c1cc(-c2ccc3ccccc3c2)nc2c1cc(-c1ccc3ccccc3c1)c1ccccc12
InChIInChI=1S/2C40H24N2/c41-25-32-13-5-6-14-33(32)37-24-39(31-20-18-27-10-2-4-12-29(27)22-31)42-40-35-16-8-7-15-34(35)36(23-38(37)40)30-19-17-26-9-1-3-11-28(26)21-30;41-25-26-13-15-29(16-14-26)37-24-39(33-20-18-28-8-2-4-10-31(28)22-33)42-40-35-12-6-5-11-34(35)36(23-38(37)40)32-19-17-27-7-1-3-9-30(27)21-32/h2*1-24H
InChIKeyLRMQVMYMIHBTPY-UHFFFAOYSA-N
XLogP21.13
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.29
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161310486
2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
CID 70958757
4-[4-(4,6-dinaphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]benzonitrile
CID 70958881
2-(2,4-dinaphthalen-1-ylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959605
4-(4-acridin-9-ylphenyl)-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161103794
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604
2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline;2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 158566258
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
CID 70836414
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
CID 159967582
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 138750105

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile?
The IUPAC name of 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile (CID 159435282) is 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile.
What is the SMILES notation for 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile?
The canonical SMILES for 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile is N#Cc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2cc(-c2ccc4ccccc4c2)c2ccccc23)cc1.N#Cc1ccccc1-c1cc(-c2ccc3ccccc3c2)nc2c1cc(-c1ccc3ccccc3c1)c1ccccc12.
What is the InChIKey of 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile?
The InChIKey is LRMQVMYMIHBTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H24N2/c41-25-32-13-5-6-14-33(32)37-24-39(31-20-18-27-10-2-4-12-29(27)22-31)42-40-35-16-8-7-15-34(35)36(23-38(37)40)30-19-17-26-9-1-3-11-28(26)21-30;41-25-26-13-15-29(16-14-26)37-24-39(33-20-18-28-8-2-4-10-31(28)22-33)42-40-35-12-6-5-11-34(35)36(23-38(37)40)32-19-17-27-7-1-3-9-30(27)21-32/h2*1-24H.
What are the key properties of 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile?
2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile has a molecular weight of 1065.29 g/mol, XLogP of 21.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile is sourced from PubChem (CID 159435282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).