10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline

C39H27N — CID 59183583

IUPAC10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline
SMILESC(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccncc23)c1
InChIInChI=1S/C39H27N/c1-4-14-29(15-5-1)36(30-16-6-2-7-17-30)26-28-13-12-20-32(25-28)39-34-22-11-10-21-33(34)38(31-18-8-3-9-19-31)35-23-24-40-27-37(35)39/h1-27H
InChIKeyHKJUDPLQYVZFGD-UHFFFAOYSA-N
MW509.65 g/mol
LogP10.31
Rot. Bonds5

About 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline

10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline (PubChem CID 59183583) has the molecular formula C39H27N and a molecular weight of 509.65 g/mol. Its IUPAC name is 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline.

Molecular Properties

Compound Name10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline
PubChem CID59183583
Molecular FormulaC39H27N
Molecular Weight509.65 g/mol
Exact Mass509.21
IUPAC Name10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline
SMILESC(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccncc23)c1
InChIInChI=1S/C39H27N/c1-4-14-29(15-5-1)36(30-16-6-2-7-17-30)26-28-13-12-20-32(25-28)39-34-22-11-10-21-33(34)38(31-18-8-3-9-19-31)35-23-24-40-27-37(35)39/h1-27H
InChIKeyHKJUDPLQYVZFGD-UHFFFAOYSA-N
XLogP10.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 510.31
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

5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
2-tert-butyl-9,10-bis[4-[3-(2,2-diphenylethenyl)phenyl]phenyl]anthracene;9-[3-(2,2-diphenylethenyl)phenyl]-10-[4-[3-(2,2-diphenylethenyl)phenyl]phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[4-[(E)-2-phenylethenyl]phenyl]anthracene
CID 159258124
2-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyridine;4-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyridine;2-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]-6-pyridin-2-ylpyridine;3-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]quinoline;2-[4-[10-[3-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene;2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 158431872
5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
CID 59183594
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
CID 59183810
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
CID 18335711

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline?
The IUPAC name of 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline (CID 59183583) is 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline.
What is the SMILES notation for 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline?
The canonical SMILES for 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline is C(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccncc23)c1.
What is the InChIKey of 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline?
The InChIKey is HKJUDPLQYVZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N/c1-4-14-29(15-5-1)36(30-16-6-2-7-17-30)26-28-13-12-20-32(25-28)39-34-22-11-10-21-33(34)38(31-18-8-3-9-19-31)35-23-24-40-27-37(35)39/h1-27H.
What are the key properties of 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline?
10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline has a molecular weight of 509.65 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,2-diphenylethenyl)phenyl]-5-phenylbenzo[g]isoquinoline is sourced from PubChem (CID 59183583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).