2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene

C53H36 — CID 58569633

IUPAC2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c4)c4ccccc34)cc21
InChIInChI=1S/C53H36/c1-53(2)51-18-10-9-17-48(51)49-26-24-37(32-52(49)53)40-28-27-39(41-11-3-4-12-42(40)41)36-22-20-33-19-21-34(29-38(33)30-36)35-23-25-47-45-15-6-5-13-43(45)44-14-7-8-16-46(44)50(47)31-35/h3-32H,1-2H3
InChIKeySIBVCYDVUDYQIW-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.76
Rot. Bonds3

About 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene

2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene (PubChem CID 58569633) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene.

Molecular Properties

Compound Name2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
PubChem CID58569633
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c4)c4ccccc34)cc21
InChIInChI=1S/C53H36/c1-53(2)51-18-10-9-17-48(51)49-26-24-37(32-52(49)53)40-28-27-39(41-11-3-4-12-42(40)41)36-22-20-33-19-21-34(29-38(33)30-36)35-23-25-47-45-15-6-5-13-43(45)44-14-7-8-16-46(44)50(47)31-35/h3-32H,1-2H3
InChIKeySIBVCYDVUDYQIW-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
21-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569858
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
21-[7-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569373
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
6,12-bis(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylchrysene
CID 58511674
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene?
The IUPAC name of 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene (CID 58569633) is 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene.
What is the SMILES notation for 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene?
The canonical SMILES for 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c4)c4ccccc34)cc21.
What is the InChIKey of 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene?
The InChIKey is SIBVCYDVUDYQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)51-18-10-9-17-48(51)49-26-24-37(32-52(49)53)40-28-27-39(41-11-3-4-12-42(40)41)36-22-20-33-19-21-34(29-38(33)30-36)35-23-25-47-45-15-6-5-13-43(45)44-14-7-8-16-46(44)50(47)31-35/h3-32H,1-2H3.
What are the key properties of 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene?
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene has a molecular weight of 672.87 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene is sourced from PubChem (CID 58569633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).