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

C42H36N4 — CID 166588030

IUPAC5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(C2NC(c3ccccc3)NC(c3ccccc3)N2)c1
InChIInChI=1S/C42H36N4/c1-42(2)35-22-11-9-20-31(35)33-26-38-34(25-36(33)42)32-21-10-12-23-37(32)46(38)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26,39-41,43-45H,1-2H3
InChIKeyZFUMJXKZKFOBSF-UHFFFAOYSA-N
MW596.78 g/mol
LogP9.27
Rot. Bonds4

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

5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 166588030) has the molecular formula C42H36N4 and a molecular weight of 596.78 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID166588030
Molecular FormulaC42H36N4
Molecular Weight596.78 g/mol
Exact Mass596.29
IUPAC Name5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(C2NC(c3ccccc3)NC(c3ccccc3)N2)c1
InChIInChI=1S/C42H36N4/c1-42(2)35-22-11-9-20-31(35)33-26-38-34(25-36(33)42)32-21-10-12-23-37(32)46(38)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26,39-41,43-45H,1-2H3
InChIKeyZFUMJXKZKFOBSF-UHFFFAOYSA-N
XLogP9.27
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 ≤ 59.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165164081
[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842348
30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045
CID 134551753
CID 134551753
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole (CID 166588030) is 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(C2NC(c3ccccc3)NC(c3ccccc3)N2)c1.
What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is ZFUMJXKZKFOBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N4/c1-42(2)35-22-11-9-20-31(35)33-26-38-34(25-36(33)42)32-21-10-12-23-37(32)46(38)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26,39-41,43-45H,1-2H3.
What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 596.78 g/mol, XLogP of 9.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 166588030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).