5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole

C44H36N6 — CID 145327034

IUPAC5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(C2NC(=C3C=CC(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)N=C3)NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C44H36N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32/h1-16,18-28,30,41-43,46-48H,17H2
InChIKeyQSOIFXZNCPFULM-UHFFFAOYSA-N
MW648.81 g/mol
LogP9.18
Rot. Bonds4

About 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole

5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 145327034) has the molecular formula C44H36N6 and a molecular weight of 648.81 g/mol. Its IUPAC name is 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID145327034
Molecular FormulaC44H36N6
Molecular Weight648.81 g/mol
Exact Mass648.30
IUPAC Name5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(C2NC(=C3C=CC(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)N=C3)NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C44H36N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32/h1-16,18-28,30,41-43,46-48H,17H2
InChIKeyQSOIFXZNCPFULM-UHFFFAOYSA-N
XLogP9.18
TPSA58.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 59.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

5-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-yl)naphthalen-2-yl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 145085044
12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole
CID 145327150
5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 146498073
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
25-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 126680118
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 163596227
5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 144947118
5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 163706708

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 145327034) is 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is C1=CCC(C2NC(=C3C=CC(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)N=C3)NC(c3ccccc3)N2)C=C1.
What is the InChIKey of 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is QSOIFXZNCPFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32/h1-16,18-28,30,41-43,46-48H,17H2.
What are the key properties of 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 648.81 g/mol, XLogP of 9.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 145327034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).