7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

C64H48 — CID 58831228

IUPAC7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(c3c1c(-c1ccccc1)c1ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc1c3-c1ccccc1)C2(C)C
InChIInChI=1S/C64H48/c1-63(2)56-34-35-64(63,3)62-60(43-20-8-5-9-21-43)53-33-31-47(39-55(53)59(61(56)62)42-18-6-4-7-19-42)46-30-32-52-54(38-46)58(49-29-27-41-17-11-13-23-45(41)37-49)51-25-15-14-24-50(51)57(52)48-28-26-40-16-10-12-22-44(40)36-48/h4-33,36-39,56H,34-35H2,1-3H3
InChIKeyVKDXOWVKYFZJQR-UHFFFAOYSA-N
MW817.09 g/mol
LogP17.96
Rot. Bonds5

About 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (PubChem CID 58831228) has the molecular formula C64H48 and a molecular weight of 817.09 g/mol. Its IUPAC name is 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.

Molecular Properties

Compound Name7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
PubChem CID58831228
Molecular FormulaC64H48
Molecular Weight817.09 g/mol
Exact Mass816.38
IUPAC Name7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC12CCC(c3c1c(-c1ccccc1)c1ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc1c3-c1ccccc1)C2(C)C
InChIInChI=1S/C64H48/c1-63(2)56-34-35-64(63,3)62-60(43-20-8-5-9-21-43)53-33-31-47(39-55(53)59(61(56)62)42-18-6-4-7-19-42)46-30-32-52-54(38-46)58(49-29-27-41-17-11-13-23-45(41)37-49)51-25-15-14-24-50(51)57(52)48-28-26-40-16-10-12-22-44(40)36-48/h4-33,36-39,56H,34-35H2,1-3H3
InChIKeyVKDXOWVKYFZJQR-UHFFFAOYSA-N
XLogP17.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.09
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene with MolForge

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Related Compounds

10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
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-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832

Frequently Asked Questions

What is the IUPAC name of 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The IUPAC name of 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (CID 58831228) is 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.
What is the SMILES notation for 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The canonical SMILES for 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is CC12CCC(c3c1c(-c1ccccc1)c1ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc1c3-c1ccccc1)C2(C)C.
What is the InChIKey of 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The InChIKey is VKDXOWVKYFZJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48/c1-63(2)56-34-35-64(63,3)62-60(43-20-8-5-9-21-43)53-33-31-47(39-55(53)59(61(56)62)42-18-6-4-7-19-42)46-30-32-52-54(38-46)58(49-29-27-41-17-11-13-23-45(41)37-49)51-25-15-14-24-50(51)57(52)48-28-26-40-16-10-12-22-44(40)36-48/h4-33,36-39,56H,34-35H2,1-3H3.
What are the key properties of 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene has a molecular weight of 817.09 g/mol, XLogP of 17.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,15,15-trimethyl-3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is sourced from PubChem (CID 58831228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).