11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

C77H47N5O3 — CID 126651938

IUPAC11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESC=C/C=c1\c(=C/C)c2cc3oc4ccccc4c3cc2n1-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1
InChIInChI=1S/C77H47N5O3/c1-3-16-65-51(4-2)57-41-74-60(54-21-7-12-26-71(54)83-74)38-68(57)80(65)48-33-29-45(30-34-48)63-44-64(46-31-35-49(36-32-46)81-66-24-10-5-19-52(66)58-42-75-61(39-69(58)81)55-22-8-13-27-72(55)84-75)79-77(78-63)47-17-15-18-50(37-47)82-67-25-11-6-20-53(67)59-43-76-62(40-70(59)82)56-23-9-14-28-73(56)85-76/h3-44H,1H2,2H3/b51-4-,65-16+
InChIKeyIMTBQWAFAOJKGQ-XDFOJBLNSA-N
MW1090.26 g/mol
LogP19.08
Rot. Bonds7

About 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 126651938) has the molecular formula C77H47N5O3 and a molecular weight of 1090.26 g/mol. Its IUPAC name is 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID126651938
Molecular FormulaC77H47N5O3
Molecular Weight1090.26 g/mol
Exact Mass1089.37
IUPAC Name11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESC=C/C=c1\c(=C/C)c2cc3oc4ccccc4c3cc2n1-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1
InChIInChI=1S/C77H47N5O3/c1-3-16-65-51(4-2)57-41-74-60(54-21-7-12-26-71(54)83-74)38-68(57)80(65)48-33-29-45(30-34-48)63-44-64(46-31-35-49(36-32-46)81-66-24-10-5-19-52(66)58-42-75-61(39-69(58)81)55-22-8-13-27-72(55)84-75)79-77(78-63)47-17-15-18-50(37-47)82-67-25-11-6-20-53(67)59-43-76-62(40-70(59)82)56-23-9-14-28-73(56)85-76/h3-44H,1H2,2H3/b51-4-,65-16+
InChIKeyIMTBQWAFAOJKGQ-XDFOJBLNSA-N
XLogP19.08
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.26
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

2-dibenzofuran-3-yl-9-[3-[6-[3-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 126631928
9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
CID 158049132
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118488603
3-dibenzofuran-3-yl-9-[4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[4-[2-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158701376
7-[4-[2,6-bis[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-[3-[2,4-bis[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 159872734
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158922276
3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
CID 129190405
2-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139555285
11-[3-[4-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630945
11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630887
12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 166874957

Frequently Asked Questions

What is the IUPAC name of 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 126651938) is 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is C=C/C=c1\c(=C/C)c2cc3oc4ccccc4c3cc2n1-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1.
What is the InChIKey of 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is IMTBQWAFAOJKGQ-XDFOJBLNSA-N. The full InChI is InChI=1S/C77H47N5O3/c1-3-16-65-51(4-2)57-41-74-60(54-21-7-12-26-71(54)83-74)38-68(57)80(65)48-33-29-45(30-34-48)63-44-64(46-31-35-49(36-32-46)81-66-24-10-5-19-52(66)58-42-75-61(39-69(58)81)55-22-8-13-27-72(55)84-75)79-77(78-63)47-17-15-18-50(37-47)82-67-25-11-6-20-53(67)59-43-76-62(40-70(59)82)56-23-9-14-28-73(56)85-76/h3-44H,1H2,2H3/b51-4-,65-16+.
What are the key properties of 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1090.26 g/mol, XLogP of 19.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 126651938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).