5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

C45H41N5 — CID 146498005

IUPAC5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(C4=CC=C(C5NC(C6=CC7C=CC=CC7C=C6)NC(c6ccccc6)N5)NC4)c3cc21
InChIInChI=1S/C45H41N5/c1-45(2)37-18-10-8-16-33(37)35-25-36-34-17-9-11-19-40(34)50(41(36)26-38(35)45)32-22-23-39(46-27-32)44-48-42(29-13-4-3-5-14-29)47-43(49-44)31-21-20-28-12-6-7-15-30(28)24-31/h3-26,28,30,42-44,46-49H,27H2,1-2H3
InChIKeyLRVQXOLRZJZDJG-UHFFFAOYSA-N
MW651.86 g/mol
LogP8.42
Rot. Bonds4

About 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 146498005) has the molecular formula C45H41N5 and a molecular weight of 651.86 g/mol. Its IUPAC name is 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID146498005
Molecular FormulaC45H41N5
Molecular Weight651.86 g/mol
Exact Mass651.34
IUPAC Name5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(C4=CC=C(C5NC(C6=CC7C=CC=CC7C=C6)NC(c6ccccc6)N5)NC4)c3cc21
InChIInChI=1S/C45H41N5/c1-45(2)37-18-10-8-16-33(37)35-25-36-34-17-9-11-19-40(34)50(41(36)26-38(35)45)32-22-23-39(46-27-32)44-48-42(29-13-4-3-5-14-29)47-43(49-44)31-21-20-28-12-6-7-15-30(28)24-31/h3-26,28,30,42-44,46-49H,27H2,1-2H3
InChIKeyLRVQXOLRZJZDJG-UHFFFAOYSA-N
XLogP8.42
TPSA53.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.86
LogP ≤ 58.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166588030
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
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
CID 129311945
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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 146498005) is 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(C4=CC=C(C5NC(C6=CC7C=CC=CC7C=C6)NC(c6ccccc6)N5)NC4)c3cc21.
What is the InChIKey of 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is LRVQXOLRZJZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41N5/c1-45(2)37-18-10-8-16-33(37)35-25-36-34-17-9-11-19-40(34)50(41(36)26-38(35)45)32-22-23-39(46-27-32)44-48-42(29-13-4-3-5-14-29)47-43(49-44)31-21-20-28-12-6-7-15-30(28)24-31/h3-26,28,30,42-44,46-49H,27H2,1-2H3.
What are the key properties of 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 651.86 g/mol, XLogP of 8.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(4a,8a-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 146498005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).