2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole

C162H106N12 — CID 158253323

IUPAC2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6n5)c4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1
InChIInChI=1S/C58H38N4.2C52H34N4/c1-5-18-39(19-6-1)42-24-16-29-47(37-42)61-52-35-34-43(40-20-7-2-8-21-40)38-50(52)54-48(31-17-33-53(54)61)44-25-15-26-45(36-44)57-59-56(41-22-9-3-10-23-41)55-49-30-13-14-32-51(49)62(58(55)60-57)46-27-11-4-12-28-46;1-5-17-35(18-6-1)37-31-32-46-44(34-37)48-42(28-16-30-47(48)55(46)40-23-9-3-10-24-40)38-21-15-22-39(33-38)51-53-50(36-19-7-2-8-20-36)49-43-27-13-14-29-45(43)56(52(49)54-51)41-25-11-4-12-26-41;1-4-17-35(18-5-1)37-21-15-26-41(34-37)55-45-30-12-10-27-43(45)48-42(29-16-32-47(48)55)38-22-14-23-39(33-38)51-53-50(36-19-6-2-7-20-36)49-44-28-11-13-31-46(44)56(52(49)54-51)40-24-8-3-9-25-40/h1-38H;2*1-34H
InChIKeyGGZAQVMICUVZCS-UHFFFAOYSA-N
MW2220.71 g/mol
LogP41.68
Rot. Bonds19

About 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole

2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole (PubChem CID 158253323) has the molecular formula C162H106N12 and a molecular weight of 2220.71 g/mol. Its IUPAC name is 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole.

Molecular Properties

Compound Name2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
PubChem CID158253323
Molecular FormulaC162H106N12
Molecular Weight2220.71 g/mol
Exact Mass2218.87
IUPAC Name2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6n5)c4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1
InChIInChI=1S/C58H38N4.2C52H34N4/c1-5-18-39(19-6-1)42-24-16-29-47(37-42)61-52-35-34-43(40-20-7-2-8-21-40)38-50(52)54-48(31-17-33-53(54)61)44-25-15-26-45(36-44)57-59-56(41-22-9-3-10-23-41)55-49-30-13-14-32-51(49)62(58(55)60-57)46-27-11-4-12-28-46;1-5-17-35(18-6-1)37-31-32-46-44(34-37)48-42(28-16-30-47(48)55(46)40-23-9-3-10-24-40)38-21-15-22-39(33-38)51-53-50(36-19-7-2-8-20-36)49-43-27-13-14-29-45(43)56(52(49)54-51)41-25-11-4-12-26-41;1-4-17-35(18-5-1)37-21-15-26-41(34-37)55-45-30-12-10-27-43(45)48-42(29-16-32-47(48)55)38-22-14-23-39(33-38)51-53-50(36-19-6-2-7-20-36)49-44-28-11-13-31-46(44)56(52(49)54-51)40-24-8-3-9-25-40/h1-38H;2*1-34H
InChIKeyGGZAQVMICUVZCS-UHFFFAOYSA-N
XLogP41.68
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002220.71
LogP ≤ 541.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole 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

10-[3-(4,9-diphenylpyrimido[4,5-b]indol-2-yl)phenyl]-7-phenylbenzo[c]carbazole;9-phenyl-4-(3-phenylphenyl)-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;7-phenyl-10-[3-[9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indol-2-yl]phenyl]benzo[c]carbazole
CID 159801398
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 118232378
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
2-(3-carbazol-9-ylphenyl)-9-phenyl-4-(9-phenylcarbazol-3-yl)pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 159842963
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
3-[4-[5,9-bis(3-phenylphenyl)carbazol-3-yl]phenyl]-5,9-bis(3-phenylphenyl)carbazole;5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-phenyl-5-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158407520
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
CID 118232381
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
CID 158650135
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole?
The IUPAC name of 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole (CID 158253323) is 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole.
What is the SMILES notation for 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole?
The canonical SMILES for 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole is c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6n5)c4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1.
What is the InChIKey of 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole?
The InChIKey is GGZAQVMICUVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.2C52H34N4/c1-5-18-39(19-6-1)42-24-16-29-47(37-42)61-52-35-34-43(40-20-7-2-8-21-40)38-50(52)54-48(31-17-33-53(54)61)44-25-15-26-45(36-44)57-59-56(41-22-9-3-10-23-41)55-49-30-13-14-32-51(49)62(58(55)60-57)46-27-11-4-12-28-46;1-5-17-35(18-6-1)37-31-32-46-44(34-37)48-42(28-16-30-47(48)55(46)40-23-9-3-10-24-40)38-21-15-22-39(33-38)51-53-50(36-19-7-2-8-20-36)49-43-27-13-14-29-45(43)56(52(49)54-51)41-25-11-4-12-26-41;1-4-17-35(18-5-1)37-21-15-26-41(34-37)55-45-30-12-10-27-43(45)48-42(29-16-32-47(48)55)38-22-14-23-39(33-38)51-53-50(36-19-6-2-7-20-36)49-44-28-11-13-31-46(44)56(52(49)54-51)40-24-8-3-9-25-40/h1-38H;2*1-34H.
What are the key properties of 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole?
2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole has a molecular weight of 2220.71 g/mol, XLogP of 41.68, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole is sourced from PubChem (CID 158253323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).