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

C146H94N12 — CID 158505849

IUPAC11-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
SMILESc1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/2C50H32N4.C46H30N4/c1-5-16-34(17-6-1)48-47-42-32-37(27-29-44(42)54(39-22-11-4-12-23-39)50(47)52-49(51-48)35-18-7-2-8-19-35)36-26-28-43-41(31-36)46-40-24-14-13-15-33(40)25-30-45(46)53(43)38-20-9-3-10-21-38;1-5-16-34(17-6-1)47-46-43-32-37(27-30-45(43)54(39-22-11-4-12-23-39)50(46)52-49(51-47)35-18-7-2-8-19-35)36-26-29-44-42(31-36)41-28-25-33-15-13-14-24-40(33)48(41)53(44)38-20-9-3-10-21-38;1-5-16-31(17-6-1)44-43-38-30-33(36-25-15-27-41-42(36)37-24-13-14-26-39(37)49(41)34-20-9-3-10-21-34)28-29-40(38)50(35-22-11-4-12-23-35)46(43)48-45(47-44)32-18-7-2-8-19-32/h2*1-32H;1-30H
InChIKeyHKLNFZBUSNKWCF-UHFFFAOYSA-N
MW2016.44 g/mol
LogP37.32
Rot. Bonds15

About 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

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 (PubChem CID 158505849) has the molecular formula C146H94N12 and a molecular weight of 2016.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID158505849
Molecular FormulaC146H94N12
Molecular Weight2016.44 g/mol
Exact Mass2014.77
IUPAC Name11-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
SMILESc1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/2C50H32N4.C46H30N4/c1-5-16-34(17-6-1)48-47-42-32-37(27-29-44(42)54(39-22-11-4-12-23-39)50(47)52-49(51-48)35-18-7-2-8-19-35)36-26-28-43-41(31-36)46-40-24-14-13-15-33(40)25-30-45(46)53(43)38-20-9-3-10-21-38;1-5-16-34(17-6-1)47-46-43-32-37(27-30-45(43)54(39-22-11-4-12-23-39)50(46)52-49(51-47)35-18-7-2-8-19-35)36-26-29-44-42(31-36)41-28-25-33-15-13-14-24-40(33)48(41)53(44)38-20-9-3-10-21-38;1-5-16-31(17-6-1)44-43-38-30-33(36-25-15-27-41-42(36)37-24-13-14-26-39(37)49(41)34-20-9-3-10-21-34)28-29-40(38)50(35-22-11-4-12-23-35)46(43)48-45(47-44)32-18-7-2-8-19-32/h2*1-32H;1-30H
InChIKeyHKLNFZBUSNKWCF-UHFFFAOYSA-N
XLogP37.32
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.44
LogP ≤ 537.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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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-(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
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121385989
9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 118232378
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole
CID 158193193
2-[10-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]quinazoline-4-carbonitrile;2-[3-phenyl-6-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]quinazoline-4-carbonitrile
CID 162048204

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is HKLNFZBUSNKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N4.C46H30N4/c1-5-16-34(17-6-1)48-47-42-32-37(27-29-44(42)54(39-22-11-4-12-23-39)50(47)52-49(51-48)35-18-7-2-8-19-35)36-26-28-43-41(31-36)46-40-24-14-13-15-33(40)25-30-45(46)53(43)38-20-9-3-10-21-38;1-5-16-34(17-6-1)47-46-43-32-37(27-30-45(43)54(39-22-11-4-12-23-39)50(46)52-49(51-47)35-18-7-2-8-19-35)36-26-29-44-42(31-36)41-28-25-33-15-13-14-24-40(33)48(41)53(44)38-20-9-3-10-21-38;1-5-16-31(17-6-1)44-43-38-30-33(36-25-15-27-41-42(36)37-24-13-14-26-39(37)49(41)34-20-9-3-10-21-34)28-29-40(38)50(35-22-11-4-12-23-35)46(43)48-45(47-44)32-18-7-2-8-19-32/h2*1-32H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2016.44 g/mol, XLogP of 37.32, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158505849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).