4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole

C144H88N12OS2 — CID 159635369

IUPAC4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4nc(-c5cccc6c5sc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6c5oc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6c5sc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)cccc32)cc1
InChIInChI=1S/C52H32N4S.C46H28N4O.C46H28N4S/c1-4-15-33(16-5-1)34-27-29-45-42(31-34)43-32-35(28-30-46(43)55(45)36-17-6-2-7-18-36)51-53-49(41-24-14-23-39-38-21-11-13-26-47(38)57-50(39)41)48-40-22-10-12-25-44(40)56(52(48)54-51)37-19-8-3-9-20-37;2*1-3-15-29(16-4-1)49-37-25-10-7-20-33(37)41-35(23-14-27-39(41)49)45-47-43(36-24-13-22-32-31-19-9-12-28-40(31)51-44(32)36)42-34-21-8-11-26-38(34)50(46(42)48-45)30-17-5-2-6-18-30/h1-32H;2*1-28H
InChIKeyMPRCLOQAFUNUHQ-UHFFFAOYSA-N
MW2066.50 g/mol
LogP38.32
Rot. Bonds13

About 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole

4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole (PubChem CID 159635369) has the molecular formula C144H88N12OS2 and a molecular weight of 2066.50 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
PubChem CID159635369
Molecular FormulaC144H88N12OS2
Molecular Weight2066.50 g/mol
Exact Mass2064.66
IUPAC Name4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4nc(-c5cccc6c5sc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6c5oc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6c5sc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)cccc32)cc1
InChIInChI=1S/C52H32N4S.C46H28N4O.C46H28N4S/c1-4-15-33(16-5-1)34-27-29-45-42(31-34)43-32-35(28-30-46(43)55(45)36-17-6-2-7-18-36)51-53-49(41-24-14-23-39-38-21-11-13-26-47(38)57-50(39)41)48-40-22-10-12-25-44(40)56(52(48)54-51)37-19-8-3-9-20-37;2*1-3-15-29(16-4-1)49-37-25-10-7-20-33(37)41-35(23-14-27-39(41)49)45-47-43(36-24-13-22-32-31-19-9-12-28-40(31)51-44(32)36)42-34-21-8-11-26-38(34)50(46(42)48-45)30-17-5-2-6-18-30/h1-32H;2*1-28H
InChIKeyMPRCLOQAFUNUHQ-UHFFFAOYSA-N
XLogP38.32
TPSA120.06 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.50
LogP ≤ 538.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole with MolForge

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Related Compounds

4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 160619996
2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 158442351
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 166952314
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
2-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010769
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
CID 161097020
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
3-[6-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768428
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole?
The IUPAC name of 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole (CID 159635369) is 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole.
What is the SMILES notation for 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole?
The canonical SMILES for 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole is c1ccc(-c2ccc3c(c2)c2cc(-c4nc(-c5cccc6c5sc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6c5oc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cccc6c5sc5ccccc56)c5c6ccccc6n(-c6ccccc6)c5n4)cccc32)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole?
The InChIKey is MPRCLOQAFUNUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S.C46H28N4O.C46H28N4S/c1-4-15-33(16-5-1)34-27-29-45-42(31-34)43-32-35(28-30-46(43)55(45)36-17-6-2-7-18-36)51-53-49(41-24-14-23-39-38-21-11-13-26-47(38)57-50(39)41)48-40-22-10-12-25-44(40)56(52(48)54-51)37-19-8-3-9-20-37;2*1-3-15-29(16-4-1)49-37-25-10-7-20-33(37)41-35(23-14-27-39(41)49)45-47-43(36-24-13-22-32-31-19-9-12-28-40(31)51-44(32)36)42-34-21-8-11-26-38(34)50(46(42)48-45)30-17-5-2-6-18-30/h1-32H;2*1-28H.
What are the key properties of 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole?
4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole has a molecular weight of 2066.50 g/mol, XLogP of 38.32, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole is sourced from PubChem (CID 159635369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).