9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole

C49H41N — CID 123223191

IUPAC9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole
SMILESCC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)ccc12
InChIInChI=1S/C49H41N/c1-47(2)40-27-30(19-20-31-22-25-38-41(28-31)49(5,6)45-37-15-7-10-16-39(37)48(3,4)46(38)45)21-24-33(40)34-26-23-32(29-42(34)47)50-43-17-11-8-13-35(43)36-14-9-12-18-44(36)50/h7-29H,1-6H3
InChIKeyWVCQPSBXPVOJSH-UHFFFAOYSA-N
MW643.87 g/mol
LogP12.75
Rot. Bonds3

About 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole

9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole (PubChem CID 123223191) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole.

Molecular Properties

Compound Name9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole
PubChem CID123223191
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC Name9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole
SMILESCC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)ccc12
InChIInChI=1S/C49H41N/c1-47(2)40-27-30(19-20-31-22-25-38-41(28-31)49(5,6)45-37-15-7-10-16-39(37)48(3,4)46(38)45)21-24-33(40)34-26-23-32(29-42(34)47)50-43-17-11-8-13-35(43)36-14-9-12-18-44(36)50/h7-29H,1-6H3
InChIKeyWVCQPSBXPVOJSH-UHFFFAOYSA-N
XLogP12.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-naphthalen-2-yl-3-[4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]phenyl]carbazole
CID 59236365
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
CID 134551753
CID 134551753
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
CID 59236161
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole?
The IUPAC name of 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole (CID 123223191) is 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole.
What is the SMILES notation for 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole?
The canonical SMILES for 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole is CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)ccc12.
What is the InChIKey of 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole?
The InChIKey is WVCQPSBXPVOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-47(2)40-27-30(19-20-31-22-25-38-41(28-31)49(5,6)45-37-15-7-10-16-39(37)48(3,4)46(38)45)21-24-33(40)34-26-23-32(29-42(34)47)50-43-17-11-8-13-35(43)36-14-9-12-18-44(36)50/h7-29H,1-6H3.
What are the key properties of 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole?
9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole has a molecular weight of 643.87 g/mol, XLogP of 12.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole is sourced from PubChem (CID 123223191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).