9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole

C55H44N2 — CID 130244452

IUPAC9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole
SMILESC=C1/C=C\C=C/CN(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C55H44N2/c1-35-15-7-6-14-30-56(38-24-26-42-40-16-8-11-19-47(40)54(2,3)49(42)33-38)51-28-22-36(31-45(35)51)37-23-29-53-46(32-37)44-18-10-13-21-52(44)57(53)39-25-27-43-41-17-9-12-20-48(41)55(4,5)50(43)34-39/h6-29,31-34H,1,30H2,2-5H3/b14-6-,15-7-
InChIKeyFHPGGPIULRXZCL-LRSUZXNRSA-N
MW732.97 g/mol
LogP14.34
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole

9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole (PubChem CID 130244452) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole
PubChem CID130244452
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole
SMILESC=C1/C=C\C=C/CN(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C55H44N2/c1-35-15-7-6-14-30-56(38-24-26-42-40-16-8-11-19-47(40)54(2,3)49(42)33-38)51-28-22-36(31-45(35)51)37-23-29-53-46(32-37)44-18-10-13-21-52(44)57(53)39-25-27-43-41-17-9-12-20-48(41)55(4,5)50(43)34-39/h6-29,31-34H,1,30H2,2-5H3/b14-6-,15-7-
InChIKeyFHPGGPIULRXZCL-LRSUZXNRSA-N
XLogP14.34
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
3-[(3Z,5Z)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-methylidene-2H-1-benzazonin-10-yl]-9-naphthalen-2-ylcarbazole
CID 118220695
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
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
3-[9-[4-[(6Z,8Z)-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118198571
3-[(2Z,4Z)-1-(9,9-dimethylfluoren-1-yl)-6-methylidene-1-benzazocin-8-yl]-9-phenylcarbazole;ethane
CID 145299461
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-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole (CID 130244452) is 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole is C=C1/C=C\C=C/CN(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole?
The InChIKey is FHPGGPIULRXZCL-LRSUZXNRSA-N. The full InChI is InChI=1S/C55H44N2/c1-35-15-7-6-14-30-56(38-24-26-42-40-16-8-11-19-47(40)54(2,3)49(42)33-38)51-28-22-36(31-45(35)51)37-23-29-53-46(32-37)44-18-10-13-21-52(44)57(53)39-25-27-43-41-17-9-12-20-48(41)55(4,5)50(43)34-39/h6-29,31-34H,1,30H2,2-5H3/b14-6-,15-7-.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole?
9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole has a molecular weight of 732.97 g/mol, XLogP of 14.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole is sourced from PubChem (CID 130244452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).