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

C49H41N5 — CID 145085044

IUPAC5-[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
SMILESC1=CCC(C2NC(c3ccccc3)NC(c3ccc4cc(-n5c6ccccc6c6cc7c8c(n(-c9ccccc9)c7cc65)CCC=C8)ccc4c3)N2)C=C1
InChIInChI=1S/C49H41N5/c1-4-14-32(15-5-1)47-50-48(33-16-6-2-7-17-33)52-49(51-47)36-25-24-35-29-38(27-26-34(35)28-36)54-44-23-13-11-21-40(44)42-30-41-39-20-10-12-22-43(39)53(45(41)31-46(42)54)37-18-8-3-9-19-37/h1-11,13-16,18-21,23-31,33,47-52H,12,17,22H2
InChIKeyJDUBHLHPSLBQRL-UHFFFAOYSA-N
MW699.90 g/mol
LogP10.78
Rot. Bonds5

About 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

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 (PubChem CID 145085044) has the molecular formula C49H41N5 and a molecular weight of 699.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID145085044
Molecular FormulaC49H41N5
Molecular Weight699.90 g/mol
Exact Mass699.34
IUPAC Name5-[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
SMILESC1=CCC(C2NC(c3ccccc3)NC(c3ccc4cc(-n5c6ccccc6c6cc7c8c(n(-c9ccccc9)c7cc65)CCC=C8)ccc4c3)N2)C=C1
InChIInChI=1S/C49H41N5/c1-4-14-32(15-5-1)47-50-48(33-16-6-2-7-17-33)52-49(51-47)36-25-24-35-29-38(27-26-34(35)28-36)54-44-23-13-11-21-40(44)42-30-41-39-20-10-12-22-43(39)53(45(41)31-46(42)54)37-18-8-3-9-19-37/h1-11,13-16,18-21,23-31,33,47-52H,12,17,22H2
InChIKeyJDUBHLHPSLBQRL-UHFFFAOYSA-N
XLogP10.78
TPSA45.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 510.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-(4a,11b-dihydrobenzo[b]carbazol-5-yl)-5-[3-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 139569825
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
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
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 167045813
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
2-[7-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazol-9-yl]phenanthren-4-yl]benzenethiol
CID 129054614
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(C2NC(c3ccccc3)NC(c3ccc4cc(-n5c6ccccc6c6cc7c8c(n(-c9ccccc9)c7cc65)CCC=C8)ccc4c3)N2)C=C1.
What is the InChIKey of 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?
The InChIKey is JDUBHLHPSLBQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N5/c1-4-14-32(15-5-1)47-50-48(33-16-6-2-7-17-33)52-49(51-47)36-25-24-35-29-38(27-26-34(35)28-36)54-44-23-13-11-21-40(44)42-30-41-39-20-10-12-22-43(39)53(45(41)31-46(42)54)37-18-8-3-9-19-37/h1-11,13-16,18-21,23-31,33,47-52H,12,17,22H2.
What are the key properties of 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?
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 has a molecular weight of 699.90 g/mol, XLogP of 10.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145085044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).