8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene

C50H41Cl — CID 138455800

IUPAC8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
SMILESCC1(C)c2cc(C(Cc3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2cc3c(cc21)C(C)(C)c1cccc(Cl)c1-3
InChIInChI=1S/C50H41Cl/c1-49(2)43-16-11-17-47(51)48(43)42-30-41-39-27-26-38(29-44(39)50(3,4)45(41)31-46(42)49)40(37-24-22-36(23-25-37)34-14-9-6-10-15-34)28-32-18-20-35(21-19-32)33-12-7-5-8-13-33/h5-27,29-31,40H,28H2,1-4H3
InChIKeyFVSSBHSCQCXPAW-UHFFFAOYSA-N
MW677.33 g/mol
LogP13.66
Rot. Bonds6

About 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene

8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene (PubChem CID 138455800) has the molecular formula C50H41Cl and a molecular weight of 677.33 g/mol. Its IUPAC name is 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene.

Molecular Properties

Compound Name8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
PubChem CID138455800
Molecular FormulaC50H41Cl
Molecular Weight677.33 g/mol
Exact Mass676.29
IUPAC Name8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
SMILESCC1(C)c2cc(C(Cc3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2cc3c(cc21)C(C)(C)c1cccc(Cl)c1-3
InChIInChI=1S/C50H41Cl/c1-49(2)43-16-11-17-47(51)48(43)42-30-41-39-27-26-38(29-44(39)50(3,4)45(41)31-46(42)49)40(37-24-22-36(23-25-37)34-14-9-6-10-15-34)28-32-18-20-35(21-19-32)33-12-7-5-8-13-33/h5-27,29-31,40H,28H2,1-4H3
InChIKeyFVSSBHSCQCXPAW-UHFFFAOYSA-N
XLogP13.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.33
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethylindeno[1,2-b]fluorene
CID 138455798
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene
CID 138461805
2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
CID 146644661
2-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174008153
9,9-dimethyl-2-phenyl-7-(1-phenylpropan-2-yl)fluorene
CID 143975231
2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
CID 142541185
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455880
4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]
CID 163289513
2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole
CID 144960569

Frequently Asked Questions

What is the IUPAC name of 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene?
The IUPAC name of 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene (CID 138455800) is 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene.
What is the SMILES notation for 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene?
The canonical SMILES for 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene is CC1(C)c2cc(C(Cc3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2cc3c(cc21)C(C)(C)c1cccc(Cl)c1-3.
What is the InChIKey of 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene?
The InChIKey is FVSSBHSCQCXPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41Cl/c1-49(2)43-16-11-17-47(51)48(43)42-30-41-39-27-26-38(29-44(39)50(3,4)45(41)31-46(42)49)40(37-24-22-36(23-25-37)34-14-9-6-10-15-34)28-32-18-20-35(21-19-32)33-12-7-5-8-13-33/h5-27,29-31,40H,28H2,1-4H3.
What are the key properties of 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene?
8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene has a molecular weight of 677.33 g/mol, XLogP of 13.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene is sourced from PubChem (CID 138455800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).