3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene

C51H34 — CID 58569042

IUPAC3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6cc(-c7ccc8c9c(cccc79)-c7ccccc7-8)ccc6c5)cc4c3)cc21
InChIInChI=1S/C51H34/c1-51(2)48-13-6-5-10-43(48)44-23-22-37(30-49(44)51)36-17-15-31-14-16-35(28-39(31)29-36)32-18-19-34-27-38(21-20-33(34)26-32)40-24-25-47-42-9-4-3-8-41(42)46-12-7-11-45(40)50(46)47/h3-30H,1-2H3
InChIKeyNBPUELLZAGADRF-UHFFFAOYSA-N
MW646.83 g/mol
LogP14.10
Rot. Bonds3

About 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene

3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene (PubChem CID 58569042) has the molecular formula C51H34 and a molecular weight of 646.83 g/mol. Its IUPAC name is 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene.

Molecular Properties

Compound Name3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
PubChem CID58569042
Molecular FormulaC51H34
Molecular Weight646.83 g/mol
Exact Mass646.27
IUPAC Name3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6cc(-c7ccc8c9c(cccc79)-c7ccccc7-8)ccc6c5)cc4c3)cc21
InChIInChI=1S/C51H34/c1-51(2)48-13-6-5-10-43(48)44-23-22-37(30-49(44)51)36-17-15-31-14-16-35(28-39(31)29-36)32-18-19-34-27-38(21-20-33(34)26-32)40-24-25-47-42-9-4-3-8-41(42)46-12-7-11-45(40)50(46)47/h3-30H,1-2H3
InChIKeyNBPUELLZAGADRF-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
CID 58569427
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633
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
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175330
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123367389

Frequently Asked Questions

What is the IUPAC name of 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
The IUPAC name of 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene (CID 58569042) is 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene.
What is the SMILES notation for 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
The canonical SMILES for 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6cc(-c7ccc8c9c(cccc79)-c7ccccc7-8)ccc6c5)cc4c3)cc21.
What is the InChIKey of 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
The InChIKey is NBPUELLZAGADRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34/c1-51(2)48-13-6-5-10-43(48)44-23-22-37(30-49(44)51)36-17-15-31-14-16-35(28-39(31)29-36)32-18-19-34-27-38(21-20-33(34)26-32)40-24-25-47-42-9-4-3-8-41(42)46-12-7-11-45(40)50(46)47/h3-30H,1-2H3.
What are the key properties of 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene?
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene has a molecular weight of 646.83 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene is sourced from PubChem (CID 58569042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).