5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole

C42H36N4 — CID 163706883

IUPAC5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccccc2)ccc1n3C1NC(c2ccccc2)NC(c2ccccc2)N1
InChIInChI=1S/C42H36N4/c1-42(2)35-21-13-12-20-31(35)32-26-38-34(25-36(32)42)33-24-30(27-14-6-3-7-15-27)22-23-37(33)46(38)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29/h3-26,39-41,43-45H,1-2H3
InChIKeyVXJRZAZJYVDPGV-UHFFFAOYSA-N
MW596.78 g/mol
LogP9.40
Rot. Bonds4

About 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole

5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole (PubChem CID 163706883) has the molecular formula C42H36N4 and a molecular weight of 596.78 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole
PubChem CID163706883
Molecular FormulaC42H36N4
Molecular Weight596.78 g/mol
Exact Mass596.29
IUPAC Name5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccccc2)ccc1n3C1NC(c2ccccc2)NC(c2ccccc2)N1
InChIInChI=1S/C42H36N4/c1-42(2)35-21-13-12-20-31(35)32-26-38-34(25-36(32)42)33-24-30(27-14-6-3-7-15-27)22-23-37(33)46(38)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29/h3-26,39-41,43-45H,1-2H3
InChIKeyVXJRZAZJYVDPGV-UHFFFAOYSA-N
XLogP9.40
TPSA41.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.78
LogP ≤ 59.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
CID 129311945
2-cyclohexa-1,5-dien-1-yl-5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 145067902
5-(2,4-diphenyl-1,3-diazetidin-1-ium-1-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole
CID 144964083
5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166588030
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
10,10-dimethyl-16-(3-phenyl-5-triphenylen-2-ylphenyl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 160900630
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole (CID 163706883) is 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccccc2)ccc1n3C1NC(c2ccccc2)NC(c2ccccc2)N1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole?
The InChIKey is VXJRZAZJYVDPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N4/c1-42(2)35-21-13-12-20-31(35)32-26-38-34(25-36(32)42)33-24-30(27-14-6-3-7-15-27)22-23-37(33)46(38)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29/h3-26,39-41,43-45H,1-2H3.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole has a molecular weight of 596.78 g/mol, XLogP of 9.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole is sourced from PubChem (CID 163706883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).