11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole

C62H52N6 — CID 170205856

IUPAC11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole
SMILESC1=CCCC(c2cc(C3=CCCC=C3)nc(C3=CCC(n4c5c(c6cc7c(cc64)c4ccccc4n7-c4ccc(-c6nc(C7=CCCC=C7)cc(C7=CC=CCC7)n6)cc4)C=CCC5)C=C3)n2)=C1
InChIInChI=1S/C62H52N6/c1-5-17-41(18-6-1)53-39-54(42-19-7-2-8-20-42)64-61(63-53)45-29-33-47(34-30-45)67-57-27-15-13-25-49(57)51-38-60-52(37-59(51)67)50-26-14-16-28-58(50)68(60)48-35-31-46(32-36-48)62-65-55(43-21-9-3-10-22-43)40-56(66-62)44-23-11-4-12-24-44/h1,3,5,7,9,11,13-15,17,19-21,23-27,29-35,37-40,48H,2,4,6,8,10,12,16,18,22,28,36H2
InChIKeyHFVNRIYWOUAQDJ-UHFFFAOYSA-N
MW881.14 g/mol
LogP15.46
Rot. Bonds8

About 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole

11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole (PubChem CID 170205856) has the molecular formula C62H52N6 and a molecular weight of 881.14 g/mol. Its IUPAC name is 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole
PubChem CID170205856
Molecular FormulaC62H52N6
Molecular Weight881.14 g/mol
Exact Mass880.43
IUPAC Name11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole
SMILESC1=CCCC(c2cc(C3=CCCC=C3)nc(C3=CCC(n4c5c(c6cc7c(cc64)c4ccccc4n7-c4ccc(-c6nc(C7=CCCC=C7)cc(C7=CC=CCC7)n6)cc4)C=CCC5)C=C3)n2)=C1
InChIInChI=1S/C62H52N6/c1-5-17-41(18-6-1)53-39-54(42-19-7-2-8-20-42)64-61(63-53)45-29-33-47(34-30-45)67-57-27-15-13-25-49(57)51-38-60-52(37-59(51)67)50-26-14-16-28-58(50)68(60)48-35-31-46(32-36-48)62-65-55(43-21-9-3-10-22-43)40-56(66-62)44-23-11-4-12-24-44/h1,3,5,7,9,11,13-15,17,19-21,23-27,29-35,37-40,48H,2,4,6,8,10,12,16,18,22,28,36H2
InChIKeyHFVNRIYWOUAQDJ-UHFFFAOYSA-N
XLogP15.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole with MolForge

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Related Compounds

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
5-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-22-[4-[4-[4-[5,15-di(cyclohexa-2,4-dien-1-yl)-39-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-29-phenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(23),4(19),6(18),7,9,11,13,16,20,24,26,28(36),30(35),33,37,40-hexadecaen-22-yl]phenyl]-6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,29,39-triphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2(21),3,6(18),7,9,11,13,16,19,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-15,29,39-triphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2(21),3,6(18),7,9,11,13,16,19,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 89303910
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[4-[3-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 67950891
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole
CID 163546782
9-[3-[8-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381788
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535
9-[4-[3-[4-(4-carbazol-9-ylphenyl)cyclohepta-1,4,6-trien-1-yl]-5-cyclohexa-1,5-dien-1-ylphenyl]phenyl]carbazole;ethane
CID 143109598
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole (CID 170205856) is 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole is C1=CCCC(c2cc(C3=CCCC=C3)nc(C3=CCC(n4c5c(c6cc7c(cc64)c4ccccc4n7-c4ccc(-c6nc(C7=CCCC=C7)cc(C7=CC=CCC7)n6)cc4)C=CCC5)C=C3)n2)=C1.
What is the InChIKey of 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole?
The InChIKey is HFVNRIYWOUAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N6/c1-5-17-41(18-6-1)53-39-54(42-19-7-2-8-20-42)64-61(63-53)45-29-33-47(34-30-45)67-57-27-15-13-25-49(57)51-38-60-52(37-59(51)67)50-26-14-16-28-58(50)68(60)48-35-31-46(32-36-48)62-65-55(43-21-9-3-10-22-43)40-56(66-62)44-23-11-4-12-24-44/h1,3,5,7,9,11,13-15,17,19-21,23-27,29-35,37-40,48H,2,4,6,8,10,12,16,18,22,28,36H2.
What are the key properties of 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole?
11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole has a molecular weight of 881.14 g/mol, XLogP of 15.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-5-[4-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-ylpyrimidin-2-yl)phenyl]-9,10-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 170205856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).