2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene

C43H38 — CID 145474559

IUPAC2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene
SMILESC=C/C=C(\C=C/Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C43H38/c1-6-13-30(32-21-24-36-34-18-10-11-19-38(34)42(2,3)40(36)27-32)17-12-14-29-20-23-35-37-25-22-33(31-15-8-7-9-16-31)28-41(37)43(4,5)39(35)26-29/h6-13,15-28H,1,14H2,2-5H3/b17-12-,30-13+
InChIKeyCALNJXPZYURIBO-OWQIMCBISA-N
MW554.78 g/mol
LogP11.33
Rot. Bonds6

About 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene

2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene (PubChem CID 145474559) has the molecular formula C43H38 and a molecular weight of 554.78 g/mol. Its IUPAC name is 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene.

Molecular Properties

Compound Name2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene
PubChem CID145474559
Molecular FormulaC43H38
Molecular Weight554.78 g/mol
Exact Mass554.30
IUPAC Name2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene
SMILESC=C/C=C(\C=C/Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C43H38/c1-6-13-30(32-21-24-36-34-18-10-11-19-38(34)42(2,3)40(36)27-32)17-12-14-29-20-23-35-37-25-22-33(31-15-8-7-9-16-31)28-41(37)43(4,5)39(35)26-29/h6-13,15-28H,1,14H2,2-5H3/b17-12-,30-13+
InChIKeyCALNJXPZYURIBO-OWQIMCBISA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.78
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluorene
CID 143467691
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
9,9-dimethyl-7-naphthalen-1-yl-N-[(2Z,4E)-4-(4-phenylphenyl)hepta-2,4,6-trienyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 145298642
4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-N-phenyl-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 142540856
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7-hexa-1,4-dien-2-yl-9,9-dimethylfluorene
CID 123148254
2-[(1E,3E,5Z)-1-iodohepta-1,3,5-trien-4-yl]-9,9-dimethylfluorene
CID 89161500
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
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene?
The IUPAC name of 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene (CID 145474559) is 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene.
What is the SMILES notation for 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene?
The canonical SMILES for 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene is C=C/C=C(\C=C/Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene?
The InChIKey is CALNJXPZYURIBO-OWQIMCBISA-N. The full InChI is InChI=1S/C43H38/c1-6-13-30(32-21-24-36-34-18-10-11-19-38(34)42(2,3)40(36)27-32)17-12-14-29-20-23-35-37-25-22-33(31-15-8-7-9-16-31)28-41(37)43(4,5)39(35)26-29/h6-13,15-28H,1,14H2,2-5H3/b17-12-,30-13+.
What are the key properties of 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene?
2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene has a molecular weight of 554.78 g/mol, XLogP of 11.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-4-(9,9-dimethylfluoren-2-yl)hepta-2,4,6-trienyl]-9,9-dimethyl-7-phenylfluorene is sourced from PubChem (CID 145474559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).