9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene

C100H64 — CID 158676895

IUPAC9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
SMILESc1cc(-c2ccc3cc(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4ccc5cc(-c6cccc(-c7cc8ccccc8c8ccccc78)c6)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C54H34.C46H30/c1-3-14-47-44(10-1)33-53(51-18-7-5-16-49(47)51)43-13-9-12-35(31-43)36-20-21-38-29-39(23-22-37(38)28-36)40-24-25-42-32-46(27-26-41(42)30-40)54-34-45-11-2-4-15-48(45)50-17-6-8-19-52(50)54;1-2-9-31(10-3-1)33-17-18-36-27-39(22-21-35(36)25-33)40-24-23-37-26-34(19-20-38(37)28-40)32-12-8-13-41(29-32)46-30-42-11-4-5-14-43(42)44-15-6-7-16-45(44)46/h1-34H;1-30H
InChIKeyIEQDWKFOELPLOE-UHFFFAOYSA-N
MW1265.61 g/mol
LogP28.24
Rot. Bonds8

About 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene

9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene (PubChem CID 158676895) has the molecular formula C100H64 and a molecular weight of 1265.61 g/mol. Its IUPAC name is 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
PubChem CID158676895
Molecular FormulaC100H64
Molecular Weight1265.61 g/mol
Exact Mass1264.50
IUPAC Name9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
SMILESc1cc(-c2ccc3cc(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4ccc5cc(-c6cccc(-c7cc8ccccc8c8ccccc78)c6)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C54H34.C46H30/c1-3-14-47-44(10-1)33-53(51-18-7-5-16-49(47)51)43-13-9-12-35(31-43)36-20-21-38-29-39(23-22-37(38)28-36)40-24-25-42-32-46(27-26-41(42)30-40)54-34-45-11-2-4-15-48(45)50-17-6-8-19-52(50)54;1-2-9-31(10-3-1)33-17-18-36-27-39(22-21-35(36)25-33)40-24-23-37-26-34(19-20-38(37)28-40)32-12-8-13-41(29-32)46-30-42-11-4-5-14-43(42)44-15-6-7-16-45(44)46/h1-34H;1-30H
InChIKeyIEQDWKFOELPLOE-UHFFFAOYSA-N
XLogP28.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.61
LogP ≤ 528.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene with MolForge

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Related Compounds

2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
CID 58569217
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962
9,10-bis(4-phenylphenyl)anthracene;9,10-bis[4-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene)
CID 167580744
9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 158915055

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
The IUPAC name of 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene (CID 158676895) is 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene.
What is the SMILES notation for 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
The canonical SMILES for 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene is c1cc(-c2ccc3cc(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4ccc5cc(-c6cccc(-c7cc8ccccc8c8ccccc78)c6)ccc5c4)ccc3c2)cc1.
What is the InChIKey of 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
The InChIKey is IEQDWKFOELPLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34.C46H30/c1-3-14-47-44(10-1)33-53(51-18-7-5-16-49(47)51)43-13-9-12-35(31-43)36-20-21-38-29-39(23-22-37(38)28-36)40-24-25-42-32-46(27-26-41(42)30-40)54-34-45-11-2-4-15-48(45)50-17-6-8-19-52(50)54;1-2-9-31(10-3-1)33-17-18-36-27-39(22-21-35(36)25-33)40-24-23-37-26-34(19-20-38(37)28-40)32-12-8-13-41(29-32)46-30-42-11-4-5-14-43(42)44-15-6-7-16-45(44)46/h1-34H;1-30H.
What are the key properties of 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene?
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene has a molecular weight of 1265.61 g/mol, XLogP of 28.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene is sourced from PubChem (CID 158676895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).