2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene

C37H32 — CID 157190437

IUPAC2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(Cc3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C37H32/c1-36(2)32-13-9-8-12-28(32)29-17-14-24(21-33(29)36)20-25-15-18-30-31-19-16-27(26-10-6-5-7-11-26)23-35(31)37(3,4)34(30)22-25/h5-19,21-23H,20H2,1-4H3
InChIKeyAPQBEIMQKRTRIN-UHFFFAOYSA-N
MW476.66 g/mol
LogP9.56
Rot. Bonds3

About 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene

2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene (PubChem CID 157190437) has the molecular formula C37H32 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene.

Molecular Properties

Compound Name2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
PubChem CID157190437
Molecular FormulaC37H32
Molecular Weight476.66 g/mol
Exact Mass476.25
IUPAC Name2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(Cc3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C37H32/c1-36(2)32-13-9-8-12-28(32)29-17-14-24(21-33(29)36)20-25-15-18-30-31-19-16-27(26-10-6-5-7-11-26)23-35(31)37(3,4)34(30)22-25/h5-19,21-23H,20H2,1-4H3
InChIKeyAPQBEIMQKRTRIN-UHFFFAOYSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline
CID 144810304
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
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-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58876393
3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene
CID 144810243
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677

Frequently Asked Questions

What is the IUPAC name of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene?
The IUPAC name of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene (CID 157190437) is 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene.
What is the SMILES notation for 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene?
The canonical SMILES for 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene is CC1(C)c2ccccc2-c2ccc(Cc3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene?
The InChIKey is APQBEIMQKRTRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32/c1-36(2)32-13-9-8-12-28(32)29-17-14-24(21-33(29)36)20-25-15-18-30-31-19-16-27(26-10-6-5-7-11-26)23-35(31)37(3,4)34(30)22-25/h5-19,21-23H,20H2,1-4H3.
What are the key properties of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene?
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene has a molecular weight of 476.66 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene is sourced from PubChem (CID 157190437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).