2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine

C50H30N4S — CID 146391915

IUPAC2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3sc4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C50H30N4S/c1-3-14-31(15-4-1)34-26-27-45-40(29-34)47-48(38-22-13-25-43-46(38)37-21-10-12-24-42(37)53(43)35-18-5-2-6-19-35)51-50(52-49(47)55-45)54-41-23-11-9-20-36(41)39-28-32-16-7-8-17-33(32)30-44(39)54/h1-30H
InChIKeyVMXDBKMZPOAYHC-UHFFFAOYSA-N
MW718.89 g/mol
LogP13.53
Rot. Bonds4

About 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine

2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine (PubChem CID 146391915) has the molecular formula C50H30N4S and a molecular weight of 718.89 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine
PubChem CID146391915
Molecular FormulaC50H30N4S
Molecular Weight718.89 g/mol
Exact Mass718.22
IUPAC Name2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3sc4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C50H30N4S/c1-3-14-31(15-4-1)34-26-27-45-40(29-34)47-48(38-22-13-25-43-46(38)37-21-10-12-24-42(37)53(43)35-18-5-2-6-19-35)51-50(52-49(47)55-45)54-41-23-11-9-20-36(41)39-28-32-16-7-8-17-33(32)30-44(39)54/h1-30H
InChIKeyVMXDBKMZPOAYHC-UHFFFAOYSA-N
XLogP13.53
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.89
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-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

2-benzo[b]carbazol-5-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391980
2-benzo[b]carbazol-5-yl-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391616
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 162473135
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 162472722
2-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130325936
2-benzo[b]carbazol-5-yl-8-phenyl-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146392233
2-benzo[b]carbazol-5-yl-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391659
5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621071
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4,6-diphenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 148626682
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 161317954

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine?
The IUPAC name of 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine (CID 146391915) is 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine is c1ccc(-c2ccc3sc4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4c3c2)cc1.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine?
The InChIKey is VMXDBKMZPOAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S/c1-3-14-31(15-4-1)34-26-27-45-40(29-34)47-48(38-22-13-25-43-46(38)37-21-10-12-24-42(37)53(43)35-18-5-2-6-19-35)51-50(52-49(47)55-45)54-41-23-11-9-20-36(41)39-28-32-16-7-8-17-33(32)30-44(39)54/h1-30H.
What are the key properties of 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine?
2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine has a molecular weight of 718.89 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine is sourced from PubChem (CID 146391915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).