5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne

C43H30IN — CID 157259724

IUPAC5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne
SMILESC#CC#CI.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc21
InChIInChI=1S/C39H29N.C4HI/c1-39(2)35-19-11-9-17-31(35)33-24-34-32-18-10-12-20-37(32)40(38(34)25-36(33)39)30-22-28(26-13-5-3-6-14-26)21-29(23-30)27-15-7-4-8-16-27;1-2-3-4-5/h3-25H,1-2H3;1H
InChIKeyAXHUZJNVUWOWQR-UHFFFAOYSA-N
MW687.62 g/mol
LogP11.44
Rot. Bonds3

About 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne

5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne (PubChem CID 157259724) has the molecular formula C43H30IN and a molecular weight of 687.62 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne
PubChem CID157259724
Molecular FormulaC43H30IN
Molecular Weight687.62 g/mol
Exact Mass687.14
IUPAC Name5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne
SMILESC#CC#CI.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc21
InChIInChI=1S/C39H29N.C4HI/c1-39(2)35-19-11-9-17-31(35)33-24-34-32-18-10-12-20-37(32)40(38(34)25-36(33)39)30-22-28(26-13-5-3-6-14-26)21-29(23-30)27-15-7-4-8-16-27;1-2-3-4-5/h3-25H,1-2H3;1H
InChIKeyAXHUZJNVUWOWQR-UHFFFAOYSA-N
XLogP11.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.62
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne 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

5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-[3-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 145257288
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne?
The IUPAC name of 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne (CID 157259724) is 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne?
The canonical SMILES for 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne is C#CC#CI.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc21.
What is the InChIKey of 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne?
The InChIKey is AXHUZJNVUWOWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N.C4HI/c1-39(2)35-19-11-9-17-31(35)33-24-34-32-18-10-12-20-37(32)40(38(34)25-36(33)39)30-22-28(26-13-5-3-6-14-26)21-29(23-30)27-15-7-4-8-16-27;1-2-3-4-5/h3-25H,1-2H3;1H.
What are the key properties of 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne?
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne has a molecular weight of 687.62 g/mol, XLogP of 11.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;1-iodobuta-1,3-diyne is sourced from PubChem (CID 157259724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).