2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole

C156H99N13O — CID 158145179

IUPAC2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c2c2cc(-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H37N5.C52H32N4O.C46H30N4/c1-3-15-38(16-4-1)41-31-36-54-49(37-41)55-56(39-27-32-43(33-28-39)61-50-23-11-7-19-45(50)46-20-8-12-24-51(46)61)59-57(60-58(55)63(54)42-17-5-2-6-18-42)40-29-34-44(35-30-40)62-52-25-13-9-21-47(52)48-22-10-14-26-53(48)62;1-3-13-33(14-4-1)50-49-43-32-35(36-26-30-48-42(31-36)41-19-9-12-22-47(41)57-48)25-29-46(43)56(37-15-5-2-6-16-37)52(49)54-51(53-50)34-23-27-38(28-24-34)55-44-20-10-7-17-39(44)40-18-8-11-21-45(40)55;1-4-14-31(15-5-1)34-26-29-42-39(30-34)43-44(32-16-6-2-7-17-32)47-45(48-46(43)50(42)35-18-8-3-9-19-35)33-24-27-36(28-25-33)49-40-22-12-10-20-37(40)38-21-11-13-23-41(38)49/h1-37H;1-32H;1-30H
InChIKeyFUKXGMJXZCMJAK-UHFFFAOYSA-N
MW2171.60 g/mol
LogP40.01
Rot. Bonds16

About 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole

2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole (PubChem CID 158145179) has the molecular formula C156H99N13O and a molecular weight of 2171.60 g/mol. Its IUPAC name is 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole.

Molecular Properties

Compound Name2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole
PubChem CID158145179
Molecular FormulaC156H99N13O
Molecular Weight2171.60 g/mol
Exact Mass2169.81
IUPAC Name2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c2c2cc(-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H37N5.C52H32N4O.C46H30N4/c1-3-15-38(16-4-1)41-31-36-54-49(37-41)55-56(39-27-32-43(33-28-39)61-50-23-11-7-19-45(50)46-20-8-12-24-51(46)61)59-57(60-58(55)63(54)42-17-5-2-6-18-42)40-29-34-44(35-30-40)62-52-25-13-9-21-47(52)48-22-10-14-26-53(48)62;1-3-13-33(14-4-1)50-49-43-32-35(36-26-30-48-42(31-36)41-19-9-12-22-47(41)57-48)25-29-46(43)56(37-15-5-2-6-16-37)52(49)54-51(53-50)34-23-27-38(28-24-34)55-44-20-10-7-17-39(44)40-18-8-11-21-45(40)55;1-4-14-31(15-5-1)34-26-29-42-39(30-34)43-44(32-16-6-2-7-17-32)47-45(48-46(43)50(42)35-18-8-3-9-19-35)33-24-27-36(28-25-33)49-40-22-12-10-20-37(40)38-21-11-13-23-41(38)49/h1-37H;1-32H;1-30H
InChIKeyFUKXGMJXZCMJAK-UHFFFAOYSA-N
XLogP40.01
TPSA124.99 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002171.60
LogP ≤ 540.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole with MolForge

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Related Compounds

9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126632019
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 118232378
4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 158901392
6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 138617947
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
6-bromo-2-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)-9-phenylpyrimido[4,5-b]indole
CID 138617926
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole?
The IUPAC name of 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole (CID 158145179) is 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole.
What is the SMILES notation for 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole?
The canonical SMILES for 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole is c1ccc(-c2ccc3c(c2)c2c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3c2c2cc(-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole?
The InChIKey is FUKXGMJXZCMJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5.C52H32N4O.C46H30N4/c1-3-15-38(16-4-1)41-31-36-54-49(37-41)55-56(39-27-32-43(33-28-39)61-50-23-11-7-19-45(50)46-20-8-12-24-51(46)61)59-57(60-58(55)63(54)42-17-5-2-6-18-42)40-29-34-44(35-30-40)62-52-25-13-9-21-47(52)48-22-10-14-26-53(48)62;1-3-13-33(14-4-1)50-49-43-32-35(36-26-30-48-42(31-36)41-19-9-12-22-47(41)57-48)25-29-46(43)56(37-15-5-2-6-16-37)52(49)54-51(53-50)34-23-27-38(28-24-34)55-44-20-10-7-17-39(44)40-18-8-11-21-45(40)55;1-4-14-31(15-5-1)34-26-29-42-39(30-34)43-44(32-16-6-2-7-17-32)47-45(48-46(43)50(42)35-18-8-3-9-19-35)33-24-27-36(28-25-33)49-40-22-12-10-20-37(40)38-21-11-13-23-41(38)49/h1-37H;1-32H;1-30H.
What are the key properties of 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole?
2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole has a molecular weight of 2171.60 g/mol, XLogP of 40.01, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole is sourced from PubChem (CID 158145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).