7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole

C48H37N5 — CID 129074227

IUPAC7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
SMILESC1=CC(C2=NC(c3cccc(-c4ccccc4)c3)NC(c3cccc(-c4ccccc4)c3)N2)NC(n2c3ccccc3c3c4ccccc4ccc32)=C1
InChIInChI=1S/C48H37N5/c1-3-14-32(15-4-1)35-19-11-21-37(30-35)46-50-47(38-22-12-20-36(31-38)33-16-5-2-6-17-33)52-48(51-46)41-25-13-27-44(49-41)53-42-26-10-9-24-40(42)45-39-23-8-7-18-34(39)28-29-43(45)53/h1-31,41,46-47,49-50H,(H,51,52)
InChIKeyGCKXYWNKJLWRAM-UHFFFAOYSA-N
MW683.86 g/mol
LogP10.60
Rot. Bonds6

About 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole

7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole (PubChem CID 129074227) has the molecular formula C48H37N5 and a molecular weight of 683.86 g/mol. Its IUPAC name is 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
PubChem CID129074227
Molecular FormulaC48H37N5
Molecular Weight683.86 g/mol
Exact Mass683.30
IUPAC Name7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
SMILESC1=CC(C2=NC(c3cccc(-c4ccccc4)c3)NC(c3cccc(-c4ccccc4)c3)N2)NC(n2c3ccccc3c3c4ccccc4ccc32)=C1
InChIInChI=1S/C48H37N5/c1-3-14-32(15-4-1)35-19-11-21-37(30-35)46-50-47(38-22-12-20-36(31-38)33-16-5-2-6-17-33)52-48(51-46)41-25-13-27-44(49-41)53-42-26-10-9-24-40(42)45-39-23-8-7-18-34(39)28-29-43(45)53/h1-31,41,46-47,49-50H,(H,51,52)
InChIKeyGCKXYWNKJLWRAM-UHFFFAOYSA-N
XLogP10.60
TPSA53.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.86
LogP ≤ 510.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

12-[2-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-1-ium-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 144943023
3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118312822
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924
11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 174276849
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
CID 129074581
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214911
4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-(3-phenylphenyl)-1,2-dihydrobenzo[h]quinazoline
CID 144780512
12-(3-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-phenyl-5-(3-phenylphenyl)-1,2,4-triazolidine
CID 145156428
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
The IUPAC name of 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole (CID 129074227) is 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
The canonical SMILES for 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole is C1=CC(C2=NC(c3cccc(-c4ccccc4)c3)NC(c3cccc(-c4ccccc4)c3)N2)NC(n2c3ccccc3c3c4ccccc4ccc32)=C1.
What is the InChIKey of 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
The InChIKey is GCKXYWNKJLWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N5/c1-3-14-32(15-4-1)35-19-11-21-37(30-35)46-50-47(38-22-12-20-36(31-38)33-16-5-2-6-17-33)52-48(51-46)41-25-13-27-44(49-41)53-42-26-10-9-24-40(42)45-39-23-8-7-18-34(39)28-29-43(45)53/h1-31,41,46-47,49-50H,(H,51,52).
What are the key properties of 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole has a molecular weight of 683.86 g/mol, XLogP of 10.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole is sourced from PubChem (CID 129074227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).