2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene

C55H38 — CID 58569367

IUPAC2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4c3)cc21
InChIInChI=1S/C55H38/c1-55(2)53-33-43(35-11-4-3-5-12-35)24-27-50(53)51-28-25-44(34-54(51)55)41-22-21-39-30-38(19-20-40(39)31-41)36-13-10-14-37(29-36)42-23-26-49-47-17-7-6-15-45(47)46-16-8-9-18-48(46)52(49)32-42/h3-34H,1-2H3
InChIKeyNSQTTXVWHCLWJE-UHFFFAOYSA-N
MW698.91 g/mol
LogP15.27
Rot. Bonds4

About 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene

2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene (PubChem CID 58569367) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
PubChem CID58569367
Molecular FormulaC55H38
Molecular Weight698.91 g/mol
Exact Mass698.30
IUPAC Name2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4c3)cc21
InChIInChI=1S/C55H38/c1-55(2)53-33-43(35-11-4-3-5-12-35)24-27-50(53)51-28-25-44(34-54(51)55)41-22-21-39-30-38(19-20-40(39)31-41)36-13-10-14-37(29-36)42-23-26-49-47-17-7-6-15-45(47)46-16-8-9-18-48(46)52(49)32-42/h3-34H,1-2H3
InChIKeyNSQTTXVWHCLWJE-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 515.27
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

9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene
CID 171742980
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene
CID 58569584
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene?
The IUPAC name of 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene (CID 58569367) is 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene.
What is the SMILES notation for 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene?
The canonical SMILES for 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4c3)cc21.
What is the InChIKey of 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene?
The InChIKey is NSQTTXVWHCLWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)53-33-43(35-11-4-3-5-12-35)24-27-50(53)51-28-25-44(34-54(51)55)41-22-21-39-30-38(19-20-40(39)31-41)36-13-10-14-37(29-36)42-23-26-49-47-17-7-6-15-45(47)46-16-8-9-18-48(46)52(49)32-42/h3-34H,1-2H3.
What are the key properties of 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene?
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene is sourced from PubChem (CID 58569367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).