2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine

C56H36N4S — CID 145381123

IUPAC2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine
SMILESC1=CC2c3cc(-c4cccc5c4c4c6ccccc6ccc4n5-c4ccccc4)ccc3N(c3nc(-c4ccccc4)nc4cc(-c5ccccc5)sc34)C2c2ccccc21
InChIInChI=1S/C56H36N4S/c1-4-17-37(18-5-1)50-34-46-54(61-50)56(58-55(57-46)38-19-6-2-7-20-38)60-47-31-29-39(33-45(47)44-30-27-36-16-11-13-24-43(36)53(44)60)42-25-14-26-48-52(42)51-41-23-12-10-15-35(41)28-32-49(51)59(48)40-21-8-3-9-22-40/h1-34,44,53H
InChIKeyMZNOFVAJBVCOII-UHFFFAOYSA-N
MW797.00 g/mol
LogP14.95
Rot. Bonds5

About 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine

2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine (PubChem CID 145381123) has the molecular formula C56H36N4S and a molecular weight of 797.00 g/mol. Its IUPAC name is 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine
PubChem CID145381123
Molecular FormulaC56H36N4S
Molecular Weight797.00 g/mol
Exact Mass796.27
IUPAC Name2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine
SMILESC1=CC2c3cc(-c4cccc5c4c4c6ccccc6ccc4n5-c4ccccc4)ccc3N(c3nc(-c4ccccc4)nc4cc(-c5ccccc5)sc34)C2c2ccccc21
InChIInChI=1S/C56H36N4S/c1-4-17-37(18-5-1)50-34-46-54(61-50)56(58-55(57-46)38-19-6-2-7-20-38)60-47-31-29-39(33-45(47)44-30-27-36-16-11-13-24-43(36)53(44)60)42-25-14-26-48-52(42)51-41-23-12-10-15-35(41)28-32-49(51)59(48)40-21-8-3-9-22-40/h1-34,44,53H
InChIKeyMZNOFVAJBVCOII-UHFFFAOYSA-N
XLogP14.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.00
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[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

12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449213
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
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431562
9-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(9-phenylcarbazol-4-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole
CID 165151390
6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229475
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
12-[5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163717602
10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
4-[2-[5-[(Z)-but-1-enyl]-6-methyl-9-phenylcarbazol-1-yl]benzo[b]carbazol-5-yl]-6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidine
CID 145381119
12-[4-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149629
11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 146541392
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine (CID 145381123) is 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine is C1=CC2c3cc(-c4cccc5c4c4c6ccccc6ccc4n5-c4ccccc4)ccc3N(c3nc(-c4ccccc4)nc4cc(-c5ccccc5)sc34)C2c2ccccc21.
What is the InChIKey of 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
The InChIKey is MZNOFVAJBVCOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4S/c1-4-17-37(18-5-1)50-34-46-54(61-50)56(58-55(57-46)38-19-6-2-7-20-38)60-47-31-29-39(33-45(47)44-30-27-36-16-11-13-24-43(36)53(44)60)42-25-14-26-48-52(42)51-41-23-12-10-15-35(41)28-32-49(51)59(48)40-21-8-3-9-22-40/h1-34,44,53H.
What are the key properties of 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine?
2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine has a molecular weight of 797.00 g/mol, XLogP of 14.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[8-(7-phenylbenzo[c]carbazol-11-yl)-6a,11a-dihydrobenzo[a]carbazol-11-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 145381123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).