1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene

C41H30 — CID 171739934

IUPAC1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene
SMILESCC1(C)c2cc(-c3ccc4c5c3C=CC3=CC=CC(=CC4)C35)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C41H30/c1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27/h3-13,15-24,39H,14H2,1-2H3
InChIKeyQNYWWGXYGNDBDK-UHFFFAOYSA-N
MW522.69 g/mol
LogP10.57
Rot. Bonds2

About 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene

1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene (PubChem CID 171739934) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene.

Molecular Properties

Compound Name1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene
PubChem CID171739934
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene
SMILESCC1(C)c2cc(-c3ccc4c5c3C=CC3=CC=CC(=CC4)C35)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C41H30/c1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27/h3-13,15-24,39H,14H2,1-2H3
InChIKeyQNYWWGXYGNDBDK-UHFFFAOYSA-N
XLogP10.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene
CID 164937828
3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene
CID 123571450
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
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
5-[4-[4-(4,10c-dihydropyren-1-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 155019007
6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
CID 58569105
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
CID 156896552
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene?
The IUPAC name of 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene (CID 171739934) is 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene.
What is the SMILES notation for 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene?
The canonical SMILES for 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene is CC1(C)c2cc(-c3ccc4c5c3C=CC3=CC=CC(=CC4)C35)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene?
The InChIKey is QNYWWGXYGNDBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27/h3-13,15-24,39H,14H2,1-2H3.
What are the key properties of 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene?
1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene has a molecular weight of 522.69 g/mol, XLogP of 10.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene is sourced from PubChem (CID 171739934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).