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

C98H70 — CID 123595825

IUPAC1-[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
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(C6=C7C=CC8=CC=CC9=CC=C(C=C6)C7C89)cc5)cc4)cc3)ccc2-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/C98H70/c1-97(2)89-55-77(67-23-19-63(20-24-67)59-11-15-61(16-12-59)65-27-31-69(32-28-65)81-47-39-75-37-35-71-7-5-9-73-41-53-87(81)95(75)93(71)73)43-49-83(89)85-51-45-79(57-91(85)97)80-46-52-86-84-50-44-78(56-90(84)98(3,4)92(86)58-80)68-25-21-64(22-26-68)60-13-17-62(18-14-60)66-29-33-70(34-30-66)82-48-40-76-38-36-72-8-6-10-74-42-54-88(82)96(76)94(72)74/h5-53,55-58,93-95H,54H2,1-4H3
InChIKeyLHZNGMQUWXHWEC-UHFFFAOYSA-N
MW1247.64 g/mol
LogP25.21
Rot. Bonds9

About 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

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 (PubChem CID 123595825) has the molecular formula C98H70 and a molecular weight of 1247.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID123595825
Molecular FormulaC98H70
Molecular Weight1247.64 g/mol
Exact Mass1246.55
IUPAC Name1-[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
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(C6=C7C=CC8=CC=CC9=CC=C(C=C6)C7C89)cc5)cc4)cc3)ccc2-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/C98H70/c1-97(2)89-55-77(67-23-19-63(20-24-67)59-11-15-61(16-12-59)65-27-31-69(32-28-65)81-47-39-75-37-35-71-7-5-9-73-41-53-87(81)95(75)93(71)73)43-49-83(89)85-51-45-79(57-91(85)97)80-46-52-86-84-50-44-78(56-90(84)98(3,4)92(86)58-80)68-25-21-64(22-26-68)60-13-17-62(18-14-60)66-29-33-70(34-30-66)82-48-40-76-38-36-72-8-6-10-74-42-54-88(82)96(76)94(72)74/h5-53,55-58,93-95H,54H2,1-4H3
InChIKeyLHZNGMQUWXHWEC-UHFFFAOYSA-N
XLogP25.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.64
LogP ≤ 525.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene
CID 123571450
1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene
CID 164937828
1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene
CID 171739934
2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]
CID 58645127
2',7'-bis[4-[2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]
CID 90741076
8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
CID 123242864
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
5-[3-(10b,10c-dihydropyren-1-yl)-5-methylphenyl]-1,10-phenanthroline
CID 121277726
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(C6=C7C=CC8=CC=CC9=CC=C(C=C6)C7C89)cc5)cc4)cc3)ccc2-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 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?
The InChIKey is LHZNGMQUWXHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H70/c1-97(2)89-55-77(67-23-19-63(20-24-67)59-11-15-61(16-12-59)65-27-31-69(32-28-65)81-47-39-75-37-35-71-7-5-9-73-41-53-87(81)95(75)93(71)73)43-49-83(89)85-51-45-79(57-91(85)97)80-46-52-86-84-50-44-78(56-90(84)98(3,4)92(86)58-80)68-25-21-64(22-26-68)60-13-17-62(18-14-60)66-29-33-70(34-30-66)82-48-40-76-38-36-72-8-6-10-74-42-54-88(82)96(76)94(72)74/h5-53,55-58,93-95H,54H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1247.64 g/mol, XLogP of 25.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123595825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).