3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene

C64H48 — CID 123571450

IUPAC3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7ccc(-c8ccc9c%10c8CC=C8C=CC=C(C=C9)C8%10)cc7)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C64H48/c1-63(2)57-11-6-5-10-52(57)53-33-29-49(37-58(53)63)50-30-34-55-54-32-28-48(36-59(54)64(3,4)60(55)38-50)43-18-16-41(17-19-43)39-12-14-40(15-13-39)42-20-22-44(23-21-42)51-31-26-47-25-24-45-8-7-9-46-27-35-56(51)62(47)61(45)46/h5-34,36-38,61H,35H2,1-4H3
InChIKeyIIIQTHNEQVJHCV-UHFFFAOYSA-N
MW817.09 g/mol
LogP16.72
Rot. Bonds5

About 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene

3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene (PubChem CID 123571450) has the molecular formula C64H48 and a molecular weight of 817.09 g/mol. Its IUPAC name is 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene.

Molecular Properties

Compound Name3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene
PubChem CID123571450
Molecular FormulaC64H48
Molecular Weight817.09 g/mol
Exact Mass816.38
IUPAC Name3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7ccc(-c8ccc9c%10c8CC=C8C=CC=C(C=C9)C8%10)cc7)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C64H48/c1-63(2)57-11-6-5-10-52(57)53-33-29-49(37-58(53)63)50-30-34-55-54-32-28-48(36-59(54)64(3,4)60(55)38-50)43-18-16-41(17-19-43)39-12-14-40(15-13-39)42-20-22-44(23-21-42)51-31-26-47-25-24-45-8-7-9-46-27-35-56(51)62(47)61(45)46/h5-34,36-38,61H,35H2,1-4H3
InChIKeyIIIQTHNEQVJHCV-UHFFFAOYSA-N
XLogP16.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.09
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[4-[4-[7-[7-[4-[4-[4-(10,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-10b,10c-dihydropyrene
CID 123595825
1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene
CID 171739934
1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene
CID 164937828
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
CID 143619792
CID 143619792
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene?
The IUPAC name of 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene (CID 123571450) is 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene.
What is the SMILES notation for 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene?
The canonical SMILES for 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7ccc(-c8ccc9c%10c8CC=C8C=CC=C(C=C9)C8%10)cc7)cc6)cc5)ccc3-4)cc21.
What is the InChIKey of 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene?
The InChIKey is IIIQTHNEQVJHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48/c1-63(2)57-11-6-5-10-52(57)53-33-29-49(37-58(53)63)50-30-34-55-54-32-28-48(36-59(54)64(3,4)60(55)38-50)43-18-16-41(17-19-43)39-12-14-40(15-13-39)42-20-22-44(23-21-42)51-31-26-47-25-24-45-8-7-9-46-27-35-56(51)62(47)61(45)46/h5-34,36-38,61H,35H2,1-4H3.
What are the key properties of 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene?
3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene has a molecular weight of 817.09 g/mol, XLogP of 16.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene is sourced from PubChem (CID 123571450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).