5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole

C78H56N4 — CID 145347906

IUPAC5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)c2cc3c(cc2C2C=CC=CC21)c1cc(-c2cc(-c4ccccc4)cc(-c4ccc(-c5cccc6ccccc56)c5c(-c6cccc7ccccc67)cccc45)c2)ccc1n3-c1nc(-c2ccccc2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C78H56N4/c1-78(2)70-38-17-16-33-63(70)67-47-69-68-46-54(39-42-72(68)82(73(69)48-71(67)78)77-80-75(52-25-8-4-9-26-52)79-76(81-77)53-27-10-5-11-28-53)56-43-55(49-21-6-3-7-22-49)44-57(45-56)60-40-41-66(62-35-19-30-51-24-13-15-32-59(51)62)74-64(60)36-20-37-65(74)61-34-18-29-50-23-12-14-31-58(50)61/h3-27,29-48,53,63,70H,28H2,1-2H3
InChIKeyXJJWAAMIZWHKPQ-UHFFFAOYSA-N
MW1049.33 g/mol
LogP20.15
Rot. Bonds8

About 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole

5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole (PubChem CID 145347906) has the molecular formula C78H56N4 and a molecular weight of 1049.33 g/mol. Its IUPAC name is 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole
PubChem CID145347906
Molecular FormulaC78H56N4
Molecular Weight1049.33 g/mol
Exact Mass1048.45
IUPAC Name5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)c2cc3c(cc2C2C=CC=CC21)c1cc(-c2cc(-c4ccccc4)cc(-c4ccc(-c5cccc6ccccc56)c5c(-c6cccc7ccccc67)cccc45)c2)ccc1n3-c1nc(-c2ccccc2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C78H56N4/c1-78(2)70-38-17-16-33-63(70)67-47-69-68-46-54(39-42-72(68)82(73(69)48-71(67)78)77-80-75(52-25-8-4-9-26-52)79-76(81-77)53-27-10-5-11-28-53)56-43-55(49-21-6-3-7-22-49)44-57(45-56)60-40-41-66(62-35-19-30-51-24-13-15-32-59(51)62)74-64(60)36-20-37-65(74)61-34-18-29-50-23-12-14-31-58(50)61/h3-27,29-48,53,63,70H,28H2,1-2H3
InChIKeyXJJWAAMIZWHKPQ-UHFFFAOYSA-N
XLogP20.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.33
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole with MolForge

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Related Compounds

10-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 137469096
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 175629003
5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3,5-diphenylphenyl)-13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 123697495
2-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121306181
12-[3-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-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 134222277
2-cyclohexa-2,4-dien-1-yl-4-[4-(4-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166742903
2-cyclohexa-2,4-dien-1-yl-4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166656868
9-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole
CID 157312394
2-cyclohexa-2,4-dien-1-yl-4-[3-[3-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146669719

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole (CID 145347906) is 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole is CC1(C)c2cc3c(cc2C2C=CC=CC21)c1cc(-c2cc(-c4ccccc4)cc(-c4ccc(-c5cccc6ccccc56)c5c(-c6cccc7ccccc67)cccc45)c2)ccc1n3-c1nc(-c2ccccc2)nc(C2C=CC=CC2)n1.
What is the InChIKey of 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole?
The InChIKey is XJJWAAMIZWHKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N4/c1-78(2)70-38-17-16-33-63(70)67-47-69-68-46-54(39-42-72(68)82(73(69)48-71(67)78)77-80-75(52-25-8-4-9-26-52)79-76(81-77)53-27-10-5-11-28-53)56-43-55(49-21-6-3-7-22-49)44-57(45-56)60-40-41-66(62-35-19-30-51-24-13-15-32-59(51)62)74-64(60)36-20-37-65(74)61-34-18-29-50-23-12-14-31-58(50)61/h3-27,29-48,53,63,70H,28H2,1-2H3.
What are the key properties of 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole?
5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole has a molecular weight of 1049.33 g/mol, XLogP of 20.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-phenylphenyl]-7,7-dimethyl-7a,11a-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 145347906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).