1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole

C61H43N — CID 126620554

IUPAC1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-n3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C61H43N/c1-61(2)58-37-48(40-12-4-3-5-13-40)30-33-54(58)55-34-32-49(38-59(55)61)62-39-57(46-28-26-45(27-29-46)53-21-11-17-43-15-7-9-19-51(43)53)56-36-47(31-35-60(56)62)41-22-24-44(25-23-41)52-20-10-16-42-14-6-8-18-50(42)52/h3-39H,1-2H3
InChIKeyVJJUOHQGBBRVSW-UHFFFAOYSA-N
MW790.02 g/mol
LogP16.58
Rot. Bonds6

About 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole

1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole (PubChem CID 126620554) has the molecular formula C61H43N and a molecular weight of 790.02 g/mol. Its IUPAC name is 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole.

Molecular Properties

Compound Name1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
PubChem CID126620554
Molecular FormulaC61H43N
Molecular Weight790.02 g/mol
Exact Mass789.34
IUPAC Name1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-n3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C61H43N/c1-61(2)58-37-48(40-12-4-3-5-13-40)30-33-54(58)55-34-32-49(38-59(55)61)62-39-57(46-28-26-45(27-29-46)53-21-11-17-43-15-7-9-19-51(43)53)56-36-47(31-35-60(56)62)41-22-24-44(25-23-41)52-20-10-16-42-14-6-8-18-50(42)52/h3-39H,1-2H3
InChIKeyVJJUOHQGBBRVSW-UHFFFAOYSA-N
XLogP16.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.02
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole
CID 126620415
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 160639859
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
9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475197
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenylindol-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 145064154
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
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-(10-phenylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159999208
3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole
CID 154596557
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
CID 161463113

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole?
The IUPAC name of 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole (CID 126620554) is 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole.
What is the SMILES notation for 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole?
The canonical SMILES for 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-n3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)cc21.
What is the InChIKey of 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole?
The InChIKey is VJJUOHQGBBRVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N/c1-61(2)58-37-48(40-12-4-3-5-13-40)30-33-54(58)55-34-32-49(38-59(55)61)62-39-57(46-28-26-45(27-29-46)53-21-11-17-43-15-7-9-19-51(43)53)56-36-47(31-35-60(56)62)41-22-24-44(25-23-41)52-20-10-16-42-14-6-8-18-50(42)52/h3-39H,1-2H3.
What are the key properties of 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole?
1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole has a molecular weight of 790.02 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole is sourced from PubChem (CID 126620554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).