3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene

C47H32 — CID 58569433

IUPAC3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H32/c1-47(2)44-27-32(21-23-39(44)40-24-22-33(28-45(40)47)35-14-7-10-30-9-3-4-11-34(30)35)29-17-19-31(20-18-29)36-25-26-43-38-13-6-5-12-37(38)42-16-8-15-41(36)46(42)43/h3-28H,1-2H3
InChIKeyFQIKRWVVGZRKCK-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.95
Rot. Bonds3

About 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene

3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene (PubChem CID 58569433) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene.

Molecular Properties

Compound Name3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
PubChem CID58569433
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H32/c1-47(2)44-27-32(21-23-39(44)40-24-22-33(28-45(40)47)35-14-7-10-30-9-3-4-11-34(30)35)29-17-19-31(20-18-29)36-25-26-43-38-13-6-5-12-37(38)42-16-8-15-41(36)46(42)43/h3-28H,1-2H3
InChIKeyFQIKRWVVGZRKCK-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
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
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
12-(7-fluoranthen-3-yl-9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 58569298
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene?
The IUPAC name of 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene (CID 58569433) is 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene.
What is the SMILES notation for 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene?
The canonical SMILES for 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene is CC1(C)c2cc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene?
The InChIKey is FQIKRWVVGZRKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-47(2)44-27-32(21-23-39(44)40-24-22-33(28-45(40)47)35-14-7-10-30-9-3-4-11-34(30)35)29-17-19-31(20-18-29)36-25-26-43-38-13-6-5-12-37(38)42-16-8-15-41(36)46(42)43/h3-28H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene?
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene has a molecular weight of 596.77 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene is sourced from PubChem (CID 58569433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).