CID 155428178

C46H27NS2 — CID 155428178

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21
InChIInChI=1S/C46H27NS2/c1-7-19-34-28(13-1)29-14-2-8-20-35(29)45(34)38-25-26-48-43(38)46(36-21-9-3-15-30(36)31-16-4-10-22-37(31)46)39-27-42(49-44(39)45)47-40-23-11-5-17-32(40)33-18-6-12-24-41(33)47/h1-27H
InChIKeyULVFFSNOURQDRN-UHFFFAOYSA-N
MW657.86 g/mol
LogP11.95
Rot. Bonds1

About CID 155428178

CID 155428178 (PubChem CID 155428178) has the molecular formula C46H27NS2 and a molecular weight of 657.86 g/mol.

Molecular Properties

Compound NameCID 155428178
PubChem CID155428178
Molecular FormulaC46H27NS2
Molecular Weight657.86 g/mol
Exact Mass657.16
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21
InChIInChI=1S/C46H27NS2/c1-7-19-34-28(13-1)29-14-2-8-20-35(29)45(34)38-25-26-48-43(38)46(36-21-9-3-15-30(36)31-16-4-10-22-37(31)46)39-27-42(49-44(39)45)47-40-23-11-5-17-32(40)33-18-6-12-24-41(33)47/h1-27H
InChIKeyULVFFSNOURQDRN-UHFFFAOYSA-N
XLogP11.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.86
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 155428178 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 155427883
CID 155427883
ethane;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 158101812
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
CID 134551622
CID 134551622
16-methylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 135245562
9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole
CID 123407245
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177

Frequently Asked Questions

What is the IUPAC name of CID 155428178?
The IUPAC name of CID 155428178 (CID 155428178) is not available.
What is the SMILES notation for CID 155428178?
The canonical SMILES for CID 155428178 is c1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21.
What is the InChIKey of CID 155428178?
The InChIKey is ULVFFSNOURQDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NS2/c1-7-19-34-28(13-1)29-14-2-8-20-35(29)45(34)38-25-26-48-43(38)46(36-21-9-3-15-30(36)31-16-4-10-22-37(31)46)39-27-42(49-44(39)45)47-40-23-11-5-17-32(40)33-18-6-12-24-41(33)47/h1-27H.
What are the key properties of CID 155428178?
CID 155428178 has a molecular weight of 657.86 g/mol, XLogP of 11.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155428178 is sourced from PubChem (CID 155428178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).