5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole

C72H48N4 — CID 134447579

IUPAC5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C72H48N4/c1-6-24-47(25-7-1)70-73-68(75-64-40-22-18-36-54(64)58-42-62-56(44-66(58)75)52-34-16-20-38-60(52)71(62,48-26-8-2-9-27-48)49-28-10-3-11-29-49)46-69(74-70)76-65-41-23-19-37-55(65)59-43-63-57(45-67(59)76)53-35-17-21-39-61(53)72(63,50-30-12-4-13-31-50)51-32-14-5-15-33-51/h1-32,34-46,51H,33H2
InChIKeyBGLMWERXHVUMLN-UHFFFAOYSA-N
MW969.20 g/mol
LogP17.15
Rot. Bonds7

About 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole

5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole (PubChem CID 134447579) has the molecular formula C72H48N4 and a molecular weight of 969.20 g/mol. Its IUPAC name is 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole
PubChem CID134447579
Molecular FormulaC72H48N4
Molecular Weight969.20 g/mol
Exact Mass968.39
IUPAC Name5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C72H48N4/c1-6-24-47(25-7-1)70-73-68(75-64-40-22-18-36-54(64)58-42-62-56(44-66(58)75)52-34-16-20-38-60(52)71(62,48-26-8-2-9-27-48)49-28-10-3-11-29-49)46-69(74-70)76-65-41-23-19-37-55(65)59-43-63-57(45-67(59)76)53-35-17-21-39-61(53)72(63,50-30-12-4-13-31-50)51-32-14-5-15-33-51/h1-32,34-46,51H,33H2
InChIKeyBGLMWERXHVUMLN-UHFFFAOYSA-N
XLogP17.15
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.20
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole with MolForge

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Related Compounds

11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole
CID 123343063
11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 159275309
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166572309
4-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 130219353
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014713
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole
CID 177145528

Frequently Asked Questions

What is the IUPAC name of 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole?
The IUPAC name of 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole (CID 134447579) is 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole is C1=CCC(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)C=C1.
What is the InChIKey of 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole?
The InChIKey is BGLMWERXHVUMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4/c1-6-24-47(25-7-1)70-73-68(75-64-40-22-18-36-54(64)58-42-62-56(44-66(58)75)52-34-16-20-38-60(52)71(62,48-26-8-2-9-27-48)49-28-10-3-11-29-49)46-69(74-70)76-65-41-23-19-37-55(65)59-43-63-57(45-67(59)76)53-35-17-21-39-61(53)72(63,50-30-12-4-13-31-50)51-32-14-5-15-33-51/h1-32,34-46,51H,33H2.
What are the key properties of 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole?
5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole has a molecular weight of 969.20 g/mol, XLogP of 17.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole is sourced from PubChem (CID 134447579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).