2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene

C66H42 — CID 58795272

IUPAC2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene
SMILESCc1ccc(C2(c3cccc4ccccc34)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C66H42/c1-41-25-31-47(32-26-41)66(63-24-12-14-42-13-2-3-15-48(42)63)64-39-45(43-27-33-57-53-20-6-4-16-49(53)51-18-8-10-22-55(51)61(57)37-43)29-35-59(64)60-36-30-46(40-65(60)66)44-28-34-58-54-21-7-5-17-50(54)52-19-9-11-23-56(52)62(58)38-44/h2-40H,1H3
InChIKeyLBFOEYCIGAYLMO-UHFFFAOYSA-N
MW835.06 g/mol
LogP17.76
Rot. Bonds4

About 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene

2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene (PubChem CID 58795272) has the molecular formula C66H42 and a molecular weight of 835.06 g/mol. Its IUPAC name is 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene.

Molecular Properties

Compound Name2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene
PubChem CID58795272
Molecular FormulaC66H42
Molecular Weight835.06 g/mol
Exact Mass834.33
IUPAC Name2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene
SMILESCc1ccc(C2(c3cccc4ccccc34)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C66H42/c1-41-25-31-47(32-26-41)66(63-24-12-14-42-13-2-3-15-48(42)63)64-39-45(43-27-33-57-53-20-6-4-16-49(53)51-18-8-10-22-55(51)61(57)37-43)29-35-59(64)60-36-30-46(40-65(60)66)44-28-34-58-54-21-7-5-17-50(54)52-19-9-11-23-56(52)62(58)38-44/h2-40H,1H3
InChIKeyLBFOEYCIGAYLMO-UHFFFAOYSA-N
XLogP17.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-bis(4-methylphenyl)fluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9-(4-methylphenyl)-9-(4-phenylphenyl)fluorene;4-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-pyren-4-ylfluoren-2-yl]pyrene
CID 157226056
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58795280
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
CID 59859297
2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
CID 126546625
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene
CID 58795266

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
The IUPAC name of 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene (CID 58795272) is 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene.
What is the SMILES notation for 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
The canonical SMILES for 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene is Cc1ccc(C2(c3cccc4ccccc34)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1.
What is the InChIKey of 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
The InChIKey is LBFOEYCIGAYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42/c1-41-25-31-47(32-26-41)66(63-24-12-14-42-13-2-3-15-48(42)63)64-39-45(43-27-33-57-53-20-6-4-16-49(53)51-18-8-10-22-55(51)61(57)37-43)29-35-59(64)60-36-30-46(40-65(60)66)44-28-34-58-54-21-7-5-17-50(54)52-19-9-11-23-56(52)62(58)38-44/h2-40H,1H3.
What are the key properties of 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene?
2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene has a molecular weight of 835.06 g/mol, XLogP of 17.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene is sourced from PubChem (CID 58795272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).