4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine

C46H28N4S — CID 145380951

IUPAC4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4c4ccc5ccccc5c43)nc3ccsc23)cc1
InChIInChI=1S/C46H28N4S/c1-3-13-30(14-4-1)43-45-38(26-27-51-45)47-46(48-43)50-40-25-23-31(28-37(40)35-24-22-29-12-7-8-17-34(29)44(35)50)33-19-11-21-41-42(33)36-18-9-10-20-39(36)49(41)32-15-5-2-6-16-32/h1-28H
InChIKeyPWUNOERGIWJIPV-UHFFFAOYSA-N
MW668.83 g/mol
LogP12.37
Rot. Bonds4

About 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine

4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine (PubChem CID 145380951) has the molecular formula C46H28N4S and a molecular weight of 668.83 g/mol. Its IUPAC name is 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine
PubChem CID145380951
Molecular FormulaC46H28N4S
Molecular Weight668.83 g/mol
Exact Mass668.20
IUPAC Name4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4c4ccc5ccccc5c43)nc3ccsc23)cc1
InChIInChI=1S/C46H28N4S/c1-3-13-30(14-4-1)43-45-38(26-27-51-45)47-46(48-43)50-40-25-23-31(28-37(40)35-24-22-29-12-7-8-17-34(29)44(35)50)33-19-11-21-41-42(33)36-18-9-10-20-39(36)49(41)32-15-5-2-6-16-32/h1-28H
InChIKeyPWUNOERGIWJIPV-UHFFFAOYSA-N
XLogP12.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.83
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine 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

4,6-diphenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[2,3-d]pyrimidine
CID 145380985
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
N,N-diphenyl-4-[6-phenyl-2-[10-(9-phenylcarbazol-4-yl)benzo[c]carbazol-7-yl]thieno[3,2-d]pyrimidin-4-yl]aniline
CID 145381034
9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
CID 155114360
11-phenyl-8-(2,4,9-triphenylpyrimido[4,5-b]indol-6-yl)benzo[a]carbazole;7-phenyl-10-(2,4,9-triphenylpyrimido[4,5-b]indol-6-yl)benzo[c]carbazole;2,4,9-triphenyl-6-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
CID 158505849
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
13-[1-(9-phenylcarbazol-3-yl)benzo[f]quinazolin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472926
15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 160916201

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine (CID 145380951) is 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine is c1ccc(-c2nc(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4c4ccc5ccccc5c43)nc3ccsc23)cc1.
What is the InChIKey of 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
The InChIKey is PWUNOERGIWJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4S/c1-3-13-30(14-4-1)43-45-38(26-27-51-45)47-46(48-43)50-40-25-23-31(28-37(40)35-24-22-29-12-7-8-17-34(29)44(35)50)33-19-11-21-41-42(33)36-18-9-10-20-39(36)49(41)32-15-5-2-6-16-32/h1-28H.
What are the key properties of 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine has a molecular weight of 668.83 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[8-(9-phenylcarbazol-4-yl)benzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 145380951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).