2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole

C46H39N — CID 144960569

IUPAC2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3ccc4c(c3)c3c(n4-c4ccccc4)C(C)(C)c4ccccc4-3)c3ccccc3)cc21
InChIInChI=1S/C46H39N/c1-45(2)39-21-13-11-19-34(39)35-25-24-32(29-41(35)45)37(31-15-7-5-8-16-31)27-30-23-26-42-38(28-30)43-36-20-12-14-22-40(36)46(3,4)44(43)47(42)33-17-9-6-10-18-33/h5-26,28-29,37H,27H2,1-4H3
InChIKeyAAGJDHYLUBJECD-UHFFFAOYSA-N
MW605.83 g/mol
LogP11.62
Rot. Bonds5

About 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole

2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole (PubChem CID 144960569) has the molecular formula C46H39N and a molecular weight of 605.83 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole.

Molecular Properties

Compound Name2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole
PubChem CID144960569
Molecular FormulaC46H39N
Molecular Weight605.83 g/mol
Exact Mass605.31
IUPAC Name2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3ccc4c(c3)c3c(n4-c4ccccc4)C(C)(C)c4ccccc4-3)c3ccccc3)cc21
InChIInChI=1S/C46H39N/c1-45(2)39-21-13-11-19-34(39)35-25-24-32(29-41(35)45)37(31-15-7-5-8-16-31)27-30-23-26-42-38(28-30)43-36-20-12-14-22-40(36)46(3,4)44(43)47(42)33-17-9-6-10-18-33/h5-26,28-29,37H,27H2,1-4H3
InChIKeyAAGJDHYLUBJECD-UHFFFAOYSA-N
XLogP11.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole with MolForge

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Related Compounds

3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole
CID 146576469
3-[5-[3-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]phenyl]cyclohexa-1,5-dien-1-yl]-9-(4-phenylphenyl)carbazole
CID 146569116
3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole
CID 139540569
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine
CID 134507447
9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
CID 166895590
2,7-bis[bis(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;9-[6-(3-cyanocarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole-3-carbonitrile
CID 159161811
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
CID 146644661
3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene
CID 144810243
2-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174008153
N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154597327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole?
The IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole (CID 144960569) is 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole.
What is the SMILES notation for 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole?
The canonical SMILES for 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole is CC1(C)c2ccccc2-c2ccc(C(Cc3ccc4c(c3)c3c(n4-c4ccccc4)C(C)(C)c4ccccc4-3)c3ccccc3)cc21.
What is the InChIKey of 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole?
The InChIKey is AAGJDHYLUBJECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N/c1-45(2)39-21-13-11-19-34(39)35-25-24-32(29-41(35)45)37(31-15-7-5-8-16-31)27-30-23-26-42-38(28-30)43-36-20-12-14-22-40(36)46(3,4)44(43)47(42)33-17-9-6-10-18-33/h5-26,28-29,37H,27H2,1-4H3.
What are the key properties of 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole?
2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole has a molecular weight of 605.83 g/mol, XLogP of 11.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole is sourced from PubChem (CID 144960569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).