3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C69H57I3N6 — CID 166982201

IUPAC3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(I)ccc1n2-c1ccccc1-c1nc(-c2ccccc2-n2c3ccc(I)cc3c3cc(I)ccc32)nc(-c2ccccc2-n2c3ccc(CCCC)cc3c3cc(CCCC)ccc32)n1
InChIInChI=1S/C69H57I3N6/c1-4-7-16-43-25-31-61-52(37-43)53-38-44(17-8-5-2)26-32-62(53)76(61)58-22-13-10-19-49(58)67-73-68(50-20-11-14-23-59(50)77-63-33-27-45(18-9-6-3)39-54(63)55-40-46(70)28-34-64(55)77)75-69(74-67)51-21-12-15-24-60(51)78-65-35-29-47(71)41-56(65)57-42-48(72)30-36-66(57)78/h10-15,19-42H,4-9,16-18H2,1-3H3
InChIKeyPSTQOXRNSDSSTQ-UHFFFAOYSA-N
MW1350.97 g/mol
LogP20.01
Rot. Bonds15

About 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 166982201) has the molecular formula C69H57I3N6 and a molecular weight of 1350.97 g/mol. Its IUPAC name is 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID166982201
Molecular FormulaC69H57I3N6
Molecular Weight1350.97 g/mol
Exact Mass1350.18
IUPAC Name3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(I)ccc1n2-c1ccccc1-c1nc(-c2ccccc2-n2c3ccc(I)cc3c3cc(I)ccc32)nc(-c2ccccc2-n2c3ccc(CCCC)cc3c3cc(CCCC)ccc32)n1
InChIInChI=1S/C69H57I3N6/c1-4-7-16-43-25-31-61-52(37-43)53-38-44(17-8-5-2)26-32-62(53)76(61)58-22-13-10-19-49(58)67-73-68(50-20-11-14-23-59(50)77-63-33-27-45(18-9-6-3)39-54(63)55-40-46(70)28-34-64(55)77)75-69(74-67)51-21-12-15-24-60(51)78-65-35-29-47(71)41-56(65)57-42-48(72)30-36-66(57)78/h10-15,19-42H,4-9,16-18H2,1-3H3
InChIKeyPSTQOXRNSDSSTQ-UHFFFAOYSA-N
XLogP20.01
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001350.97
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

3-[2-[4-[4-(3-butyl-6-iodocarbazol-9-yl)-3-(3-cyanophenyl)phenyl]-6-[3-(3-cyanophenyl)-4-(3,6-dibutylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170135112
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dibutylcarbazole
CID 170221746
2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001647
2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001587
9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole
CID 58518453
12-[2-[4-(4-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953804
3-[4-[4-[2-(3-butylcarbazol-9-yl)-4-(3-cyanophenyl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 170133288
5-[2-[4-(3-butyl-5-iodophenyl)-6-(3,5-dibutylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 137428247
9-[2-[4-(2-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170940965
9-dibenzothiophen-1-yl-3,6-dipentylcarbazole
CID 90310016
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
3-tert-butyl-9-[4-[2-(5-butyl-3-tert-butylphenyl)-6-(3-iodo-5-methylphenyl)pyrimidin-4-yl]-2-[4-(3-tert-butyl-5-iodophenyl)-6-(3-tert-butyl-5-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139438075

Frequently Asked Questions

What is the IUPAC name of 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 166982201) is 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is CCCCc1ccc2c(c1)c1cc(I)ccc1n2-c1ccccc1-c1nc(-c2ccccc2-n2c3ccc(I)cc3c3cc(I)ccc32)nc(-c2ccccc2-n2c3ccc(CCCC)cc3c3cc(CCCC)ccc32)n1.
What is the InChIKey of 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is PSTQOXRNSDSSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57I3N6/c1-4-7-16-43-25-31-61-52(37-43)53-38-44(17-8-5-2)26-32-62(53)76(61)58-22-13-10-19-49(58)67-73-68(50-20-11-14-23-59(50)77-63-33-27-45(18-9-6-3)39-54(63)55-40-46(70)28-34-64(55)77)75-69(74-67)51-21-12-15-24-60(51)78-65-35-29-47(71)41-56(65)57-42-48(72)30-36-66(57)78/h10-15,19-42H,4-9,16-18H2,1-3H3.
What are the key properties of 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 1350.97 g/mol, XLogP of 20.01, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 166982201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).