8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene

C47H34 — CID 123242864

IUPAC8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
SMILESCC1(C)c2cc(-c3ccc4ccc5c6c4c3CC=C6CC=C5)ccc2-c2ccc(-c3ccc4ccc5c6c4c3CC=C6CC=C5)cc21
InChIInChI=1S/C47H34/c1-47(2)41-25-33(35-19-13-31-11-9-27-5-3-7-29-15-23-39(35)45(31)43(27)29)17-21-37(41)38-22-18-34(26-42(38)47)36-20-14-32-12-10-28-6-4-8-30-16-24-40(36)46(32)44(28)30/h3-6,9-22,25-26H,7-8,23-24H2,1-2H3
InChIKeyFGKMDDIQBAUZFZ-UHFFFAOYSA-N
MW598.79 g/mol
LogP12.35
Rot. Bonds2

About 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene

8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene (PubChem CID 123242864) has the molecular formula C47H34 and a molecular weight of 598.79 g/mol. Its IUPAC name is 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene.

Molecular Properties

Compound Name8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
PubChem CID123242864
Molecular FormulaC47H34
Molecular Weight598.79 g/mol
Exact Mass598.27
IUPAC Name8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
SMILESCC1(C)c2cc(-c3ccc4ccc5c6c4c3CC=C6CC=C5)ccc2-c2ccc(-c3ccc4ccc5c6c4c3CC=C6CC=C5)cc21
InChIInChI=1S/C47H34/c1-47(2)41-25-33(35-19-13-31-11-9-27-5-3-7-29-15-23-39(35)45(31)43(27)29)17-21-37(41)38-22-18-34(26-42(38)47)36-20-14-32-12-10-28-6-4-8-30-16-24-40(36)46(32)44(28)30/h3-6,9-22,25-26H,7-8,23-24H2,1-2H3
InChIKeyFGKMDDIQBAUZFZ-UHFFFAOYSA-N
XLogP12.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-6-[4-[7-[7-[4-[4-(8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]-1,9-dihydropyrene
CID 123247507
2'-(8,10-dihydropyren-1-yl)-7'-pyren-1-yl-9,9'-spirobi[fluorene]
CID 123822403
6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene
CID 161480275
8-propan-2-yl-1,9-dihydropyrene
CID 140739340
2-(4,6-dihydropyren-1-yl)-8-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758533
7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene
CID 123723940
3-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123837986
3-[10-(8,10-dihydropyren-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 134487753
12-[4-[4-(8,10-dihydropyren-1-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 160867192
7-[4-[4-[4-[7-[7-[4-(7-tert-butyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene;3-[4-[4-[4-[7-[7-[4-(4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene;7-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene;7-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene
CID 161185600
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-3-azahexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,15,18,20(24),21-decaene
CID 163916491
7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene
CID 123711034

Frequently Asked Questions

What is the IUPAC name of 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene?
The IUPAC name of 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene (CID 123242864) is 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene.
What is the SMILES notation for 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene?
The canonical SMILES for 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene is CC1(C)c2cc(-c3ccc4ccc5c6c4c3CC=C6CC=C5)ccc2-c2ccc(-c3ccc4ccc5c6c4c3CC=C6CC=C5)cc21.
What is the InChIKey of 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene?
The InChIKey is FGKMDDIQBAUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34/c1-47(2)41-25-33(35-19-13-31-11-9-27-5-3-7-29-15-23-39(35)45(31)43(27)29)17-21-37(41)38-22-18-34(26-42(38)47)36-20-14-32-12-10-28-6-4-8-30-16-24-40(36)46(32)44(28)30/h3-6,9-22,25-26H,7-8,23-24H2,1-2H3.
What are the key properties of 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene?
8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene has a molecular weight of 598.79 g/mol, XLogP of 12.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene is sourced from PubChem (CID 123242864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).