5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole

C50H40N6 — CID 166650765

IUPAC5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCCC(C2NC(c3ccc(-c4ccccc4)cc3)NC(c3cncc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N2)=C1
InChIInChI=1S/C50H40N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-39(32-51-31-37)56-45-23-13-11-21-41(45)43-29-42-40-20-10-12-22-44(40)55(46(42)30-47(43)56)38-18-8-3-9-19-38/h1-6,8-16,18-32,48-50,52-54H,7,17H2
InChIKeyBAFHMLHPBOOUOK-UHFFFAOYSA-N
MW724.91 g/mol
LogP11.03
Rot. Bonds6

About 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole

5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 166650765) has the molecular formula C50H40N6 and a molecular weight of 724.91 g/mol. Its IUPAC name is 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID166650765
Molecular FormulaC50H40N6
Molecular Weight724.91 g/mol
Exact Mass724.33
IUPAC Name5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCCC(C2NC(c3ccc(-c4ccccc4)cc3)NC(c3cncc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N2)=C1
InChIInChI=1S/C50H40N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-39(32-51-31-37)56-45-23-13-11-21-41(45)43-29-42-40-20-10-12-22-44(40)55(46(42)30-47(43)56)38-18-8-3-9-19-38/h1-6,8-16,18-32,48-50,52-54H,7,17H2
InChIKeyBAFHMLHPBOOUOK-UHFFFAOYSA-N
XLogP11.03
TPSA58.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 511.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

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-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
CID 170061394
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 163706708
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole (CID 166650765) is 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole is C1=CCCC(C2NC(c3ccc(-c4ccccc4)cc3)NC(c3cncc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N2)=C1.
What is the InChIKey of 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is BAFHMLHPBOOUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-39(32-51-31-37)56-45-23-13-11-21-41(45)43-29-42-40-20-10-12-22-44(40)55(46(42)30-47(43)56)38-18-8-3-9-19-38/h1-6,8-16,18-32,48-50,52-54H,7,17H2.
What are the key properties of 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 724.91 g/mol, XLogP of 11.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-3-pyridinyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 166650765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).