7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene

C51H36 — CID 123977928

IUPAC7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6)cc4-c4c3ccc3ccccc43)cc21
InChIInChI=1S/C51H36/c1-51(2)47-29-35(31-10-4-3-5-11-31)19-22-41(47)42-23-21-38(30-48(42)51)49-43-24-20-34(28-46(43)50-40-15-9-6-12-32(40)18-25-44(49)50)33-16-17-37-26-36-13-7-8-14-39(36)45(37)27-33/h3-25,27-30,49H,26H2,1-2H3
InChIKeyYMHBXTHVINOWOE-UHFFFAOYSA-N
MW648.85 g/mol
LogP13.21
Rot. Bonds3

About 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene

7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene (PubChem CID 123977928) has the molecular formula C51H36 and a molecular weight of 648.85 g/mol. Its IUPAC name is 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene.

Molecular Properties

Compound Name7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene
PubChem CID123977928
Molecular FormulaC51H36
Molecular Weight648.85 g/mol
Exact Mass648.28
IUPAC Name7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6)cc4-c4c3ccc3ccccc43)cc21
InChIInChI=1S/C51H36/c1-51(2)47-29-35(31-10-4-3-5-11-31)19-22-41(47)42-23-21-38(30-48(42)51)49-43-24-20-34(28-46(43)50-40-15-9-6-12-32(40)18-25-44(49)50)33-16-17-37-26-36-13-7-8-14-39(36)45(37)27-33/h3-25,27-30,49H,26H2,1-2H3
InChIKeyYMHBXTHVINOWOE-UHFFFAOYSA-N
XLogP13.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085
9-naphthalen-2-yl-5-(9-naphthalen-1-yl-9H-fluoren-3-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158152291
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
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
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
CID 156682573
2-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228067
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-11H-benzo[b]fluorene;8-[10-(9H-fluoren-3-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(10-naphthalen-2-ylanthracen-9-yl)-11H-benzo[a]fluorene;8-(10-phenylanthracen-9-yl)-11H-benzo[a]fluorene;8-[10-(3-phenylphenyl)anthracen-9-yl]-11H-benzo[a]fluorene
CID 159188573
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene?
The IUPAC name of 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene (CID 123977928) is 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene.
What is the SMILES notation for 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene?
The canonical SMILES for 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6)cc4-c4c3ccc3ccccc43)cc21.
What is the InChIKey of 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene?
The InChIKey is YMHBXTHVINOWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36/c1-51(2)47-29-35(31-10-4-3-5-11-31)19-22-41(47)42-23-21-38(30-48(42)51)49-43-24-20-34(28-46(43)50-40-15-9-6-12-32(40)18-25-44(49)50)33-16-17-37-26-36-13-7-8-14-39(36)45(37)27-33/h3-25,27-30,49H,26H2,1-2H3.
What are the key properties of 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene?
7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene has a molecular weight of 648.85 g/mol, XLogP of 13.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(9H-fluoren-3-yl)-7H-benzo[c]fluorene is sourced from PubChem (CID 123977928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).