3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole

C138H101N15 — CID 158368353

IUPAC3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)ccc32)cc1.CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.Cc1ccc2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C49H37N5.C46H31N5.C43H33N5/c1-49(2,3)36-24-26-37(27-25-36)53-42-20-12-11-19-39(42)41-30-34(23-29-44(41)53)35-22-28-40-38-18-10-13-21-43(38)54(45(40)31-35)48-51-46(32-14-6-4-7-15-32)50-47(52-48)33-16-8-5-9-17-33;1-30-21-24-37-38-25-22-34(33-23-26-41-39(28-33)36-19-11-12-20-40(36)50(41)35-17-9-4-10-18-35)29-43(38)51(42(37)27-30)46-48-44(31-13-5-2-6-14-31)47-45(49-46)32-15-7-3-8-16-32;1-43(2,3)48-38-21-13-11-19-33(38)35-27-31(23-25-39(35)48)30-22-24-37-34(26-30)32-18-10-12-20-36(32)47(37)42-45-40(28-14-6-4-7-15-28)44-41(46-42)29-16-8-5-9-17-29/h4-31H,1-3H3;2-29H,1H3;4-27H,1-3H3
InChIKeyGUHMBAQYDQSOSE-UHFFFAOYSA-N
MW1969.43 g/mol
LogP34.57
Rot. Bonds14

About 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole

3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 158368353) has the molecular formula C138H101N15 and a molecular weight of 1969.43 g/mol. Its IUPAC name is 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
PubChem CID158368353
Molecular FormulaC138H101N15
Molecular Weight1969.43 g/mol
Exact Mass1967.84
IUPAC Name3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)ccc32)cc1.CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.Cc1ccc2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C49H37N5.C46H31N5.C43H33N5/c1-49(2,3)36-24-26-37(27-25-36)53-42-20-12-11-19-39(42)41-30-34(23-29-44(41)53)35-22-28-40-38-18-10-13-21-43(38)54(45(40)31-35)48-51-46(32-14-6-4-7-15-32)50-47(52-48)33-16-8-5-9-17-33;1-30-21-24-37-38-25-22-34(33-23-26-41-39(28-33)36-19-11-12-20-40(36)50(41)35-17-9-4-10-18-35)29-43(38)51(42(37)27-30)46-48-44(31-13-5-2-6-14-31)47-45(49-46)32-15-7-3-8-16-32;1-43(2,3)48-38-21-13-11-19-33(38)35-27-31(23-25-39(35)48)30-22-24-37-34(26-30)32-18-10-12-20-36(32)47(37)42-45-40(28-14-6-4-7-15-28)44-41(46-42)29-16-8-5-9-17-29/h4-31H,1-3H3;2-29H,1H3;4-27H,1-3H3
InChIKeyGUHMBAQYDQSOSE-UHFFFAOYSA-N
XLogP34.57
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001969.43
LogP ≤ 534.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
CID 118083985
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597221
5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 118504560
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118133161
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole
CID 162187881

Frequently Asked Questions

What is the IUPAC name of 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole (CID 158368353) is 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)ccc32)cc1.CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.Cc1ccc2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is GUHMBAQYDQSOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N5.C46H31N5.C43H33N5/c1-49(2,3)36-24-26-37(27-25-36)53-42-20-12-11-19-39(42)41-30-34(23-29-44(41)53)35-22-28-40-38-18-10-13-21-43(38)54(45(40)31-35)48-51-46(32-14-6-4-7-15-32)50-47(52-48)33-16-8-5-9-17-33;1-30-21-24-37-38-25-22-34(33-23-26-41-39(28-33)36-19-11-12-20-40(36)50(41)35-17-9-4-10-18-35)29-43(38)51(42(37)27-30)46-48-44(31-13-5-2-6-14-31)47-45(49-46)32-15-7-3-8-16-32;1-43(2,3)48-38-21-13-11-19-33(38)35-27-31(23-25-39(35)48)30-22-24-37-34(26-30)32-18-10-12-20-36(32)47(37)42-45-40(28-14-6-4-7-15-28)44-41(46-42)29-16-8-5-9-17-29/h4-31H,1-3H3;2-29H,1H3;4-27H,1-3H3.
What are the key properties of 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole?
3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1969.43 g/mol, XLogP of 34.57, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-tert-butylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 158368353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).