3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene

C53H36 — CID 58569427

IUPAC3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cc(-c6ccccc6)cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21
InChIInChI=1S/C53H36/c1-53(2)50-18-9-8-15-45(50)46-24-23-38(32-51(46)53)36-20-19-35-28-37(22-21-34(35)27-36)40-29-39(33-11-4-3-5-12-33)30-41(31-40)42-25-26-49-44-14-7-6-13-43(44)48-17-10-16-47(42)52(48)49/h3-32H,1-2H3
InChIKeyFKWCRSJUUPRSNJ-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.61
Rot. Bonds4

About 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene

3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene (PubChem CID 58569427) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene.

Molecular Properties

Compound Name3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
PubChem CID58569427
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cc(-c6ccccc6)cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21
InChIInChI=1S/C53H36/c1-53(2)50-18-9-8-15-45(50)46-24-23-38(32-51(46)53)36-20-19-35-28-37(22-21-34(35)27-36)40-29-39(33-11-4-3-5-12-33)30-41(31-40)42-25-26-49-44-14-7-6-13-43(44)48-17-10-16-47(42)52(48)49/h3-32H,1-2H3
InChIKeyFKWCRSJUUPRSNJ-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.61
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-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
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-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
2-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]pyrene
CID 123253774
1-[3-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]phenyl]pyrene;1-[9,9-dimethyl-7-(3-naphthalen-2-yl-5-phenylphenyl)fluoren-2-yl]pyrene;1-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]pyrene;1-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]pyrene;1-(4-naphthalen-2-ylnaphthalen-1-yl)pyrene;1-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)pyrene;1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 160669115
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene?
The IUPAC name of 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene (CID 58569427) is 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene.
What is the SMILES notation for 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene?
The canonical SMILES for 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cc(-c6ccccc6)cc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21.
What is the InChIKey of 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene?
The InChIKey is FKWCRSJUUPRSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)50-18-9-8-15-45(50)46-24-23-38(32-51(46)53)36-20-19-35-28-37(22-21-34(35)27-36)40-29-39(33-11-4-3-5-12-33)30-41(31-40)42-25-26-49-44-14-7-6-13-43(44)48-17-10-16-47(42)52(48)49/h3-32H,1-2H3.
What are the key properties of 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene?
3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene has a molecular weight of 672.87 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene is sourced from PubChem (CID 58569427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).