7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene

C57H44 — CID 168808720

IUPAC7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5c(ccc7ccccc57)C6C5C6CC7CC(C6)CC5C7)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C57H44/c1-2-11-40-32-41(22-19-36(40)9-1)37-17-20-39(21-18-37)54-46-13-5-7-15-48(46)55(49-16-8-6-14-47(49)54)42-24-25-50-52(33-42)56-45-12-4-3-10-38(45)23-26-51(56)57(50)53-43-28-34-27-35(30-43)31-44(53)29-34/h1-26,32-35,43-44,53,57H,27-31H2
InChIKeyBZAHYOPQAOTVEB-UHFFFAOYSA-N
MW728.98 g/mol
LogP15.48
Rot. Bonds4

About 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene

7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene (PubChem CID 168808720) has the molecular formula C57H44 and a molecular weight of 728.98 g/mol. Its IUPAC name is 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene.

Molecular Properties

Compound Name7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene
PubChem CID168808720
Molecular FormulaC57H44
Molecular Weight728.98 g/mol
Exact Mass728.34
IUPAC Name7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5c(ccc7ccccc57)C6C5C6CC7CC(C6)CC5C7)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C57H44/c1-2-11-40-32-41(22-19-36(40)9-1)37-17-20-39(21-18-37)54-46-13-5-7-15-48(46)55(49-16-8-6-14-47(49)54)42-24-25-50-52(33-42)56-45-12-4-3-10-38(45)23-26-51(56)57(50)53-43-28-34-27-35(30-43)31-44(53)29-34/h1-26,32-35,43-44,53,57H,27-31H2
InChIKeyBZAHYOPQAOTVEB-UHFFFAOYSA-N
XLogP15.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.98
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran
CID 168808660
1-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]dibenzothiophene
CID 168808702
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743

Frequently Asked Questions

What is the IUPAC name of 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene?
The IUPAC name of 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene (CID 168808720) is 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene.
What is the SMILES notation for 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene?
The canonical SMILES for 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5c(ccc7ccccc57)C6C5C6CC7CC(C6)CC5C7)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene?
The InChIKey is BZAHYOPQAOTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44/c1-2-11-40-32-41(22-19-36(40)9-1)37-17-20-39(21-18-37)54-46-13-5-7-15-48(46)55(49-16-8-6-14-47(49)54)42-24-25-50-52(33-42)56-45-12-4-3-10-38(45)23-26-51(56)57(50)53-43-28-34-27-35(30-43)31-44(53)29-34/h1-26,32-35,43-44,53,57H,27-31H2.
What are the key properties of 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene?
7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene has a molecular weight of 728.98 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene is sourced from PubChem (CID 168808720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).