CID 134551634

C56H33NO — CID 134551634

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc3c(cc21)c1ccccc1n3-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C56H33NO/c1-7-21-43-35(15-1)36-16-2-8-22-44(36)55(43)47-25-11-12-26-48(47)56(45-23-9-3-17-37(45)38-18-4-10-24-46(38)56)50-33-52-41(32-49(50)55)39-19-5-13-27-51(39)57(52)34-29-30-54-42(31-34)40-20-6-14-28-53(40)58-54/h1-33H
InChIKeyVRMSGLZVWVTZMS-UHFFFAOYSA-N
MW735.89 g/mol
LogP13.72
Rot. Bonds1

About CID 134551634

CID 134551634 (PubChem CID 134551634) has the molecular formula C56H33NO and a molecular weight of 735.89 g/mol.

Molecular Properties

Compound NameCID 134551634
PubChem CID134551634
Molecular FormulaC56H33NO
Molecular Weight735.89 g/mol
Exact Mass735.26
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc3c(cc21)c1ccccc1n3-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C56H33NO/c1-7-21-43-35(15-1)36-16-2-8-22-44(36)55(43)47-25-11-12-26-48(47)56(45-23-9-3-17-37(45)38-18-4-10-24-46(38)56)50-33-52-41(32-49(50)55)39-19-5-13-27-51(39)57(52)34-29-30-54-42(31-34)40-20-6-14-28-53(40)58-54/h1-33H
InChIKeyVRMSGLZVWVTZMS-UHFFFAOYSA-N
XLogP13.72
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 134551634 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

CID 134551686
CID 134551686
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078
5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 129136413
15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546032
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609

Frequently Asked Questions

What is the IUPAC name of CID 134551634?
The IUPAC name of CID 134551634 (CID 134551634) is not available.
What is the SMILES notation for CID 134551634?
The canonical SMILES for CID 134551634 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc3c(cc21)c1ccccc1n3-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of CID 134551634?
The InChIKey is VRMSGLZVWVTZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NO/c1-7-21-43-35(15-1)36-16-2-8-22-44(36)55(43)47-25-11-12-26-48(47)56(45-23-9-3-17-37(45)38-18-4-10-24-46(38)56)50-33-52-41(32-49(50)55)39-19-5-13-27-51(39)57(52)34-29-30-54-42(31-34)40-20-6-14-28-53(40)58-54/h1-33H.
What are the key properties of CID 134551634?
CID 134551634 has a molecular weight of 735.89 g/mol, XLogP of 13.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551634 is sourced from PubChem (CID 134551634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).