7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole

C103H67N5O3 — CID 126631014

IUPAC7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)ccc4-5)nc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)ccc4-5)n3)ccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)cc21
InChIInChI=1S/C103H67N5O3/c1-101(2)80-43-56(31-37-62(80)65-40-34-59(46-83(65)101)106-88-25-13-7-19-68(88)74-49-77-71-22-10-16-28-94(71)109-97(77)53-91(74)106)86-52-87(57-32-38-63-66-41-35-60(47-84(66)102(3,4)81(63)44-57)107-89-26-14-8-20-69(89)75-50-78-72-23-11-17-29-95(72)110-98(78)54-92(75)107)105-100(104-86)58-33-39-64-67-42-36-61(48-85(67)103(5,6)82(64)45-58)108-90-27-15-9-21-70(90)76-51-79-73-24-12-18-30-96(73)111-99(79)55-93(76)108/h7-55H,1-6H3
InChIKeyMBWPWKFJDGNRHF-UHFFFAOYSA-N
MW1422.70 g/mol
LogP27.39
Rot. Bonds6

About 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole

7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 126631014) has the molecular formula C103H67N5O3 and a molecular weight of 1422.70 g/mol. Its IUPAC name is 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID126631014
Molecular FormulaC103H67N5O3
Molecular Weight1422.70 g/mol
Exact Mass1421.52
IUPAC Name7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)ccc4-5)nc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)ccc4-5)n3)ccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)cc21
InChIInChI=1S/C103H67N5O3/c1-101(2)80-43-56(31-37-62(80)65-40-34-59(46-83(65)101)106-88-25-13-7-19-68(88)74-49-77-71-22-10-16-28-94(71)109-97(77)53-91(74)106)86-52-87(57-32-38-63-66-41-35-60(47-84(66)102(3,4)81(63)44-57)107-89-26-14-8-20-69(89)75-50-78-72-23-11-17-29-95(72)110-98(78)54-92(75)107)105-100(104-86)58-33-39-64-67-42-36-61(48-85(67)103(5,6)82(64)45-58)108-90-27-15-9-21-70(90)76-51-79-73-24-12-18-30-96(73)111-99(79)55-93(76)108/h7-55H,1-6H3
InChIKeyMBWPWKFJDGNRHF-UHFFFAOYSA-N
XLogP27.39
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001422.70
LogP ≤ 527.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 158381468
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459492
9-[3-dibenzofuran-2-yl-5-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678611
3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 158442816
9-[3-carbazol-9-yl-5-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 167665643
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 156578035
2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159355535
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
CID 161294064
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223402
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771

Frequently Asked Questions

What is the IUPAC name of 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole (CID 126631014) is 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole is CC1(C)c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)ccc4-5)nc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)ccc4-5)n3)ccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)cc21.
What is the InChIKey of 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is MBWPWKFJDGNRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H67N5O3/c1-101(2)80-43-56(31-37-62(80)65-40-34-59(46-83(65)101)106-88-25-13-7-19-68(88)74-49-77-71-22-10-16-28-94(71)109-97(77)53-91(74)106)86-52-87(57-32-38-63-66-41-35-60(47-84(66)102(3,4)81(63)44-57)107-89-26-14-8-20-69(89)75-50-78-72-23-11-17-29-95(72)110-98(78)54-92(75)107)105-100(104-86)58-33-39-64-67-42-36-61(48-85(67)103(5,6)82(64)45-58)108-90-27-15-9-21-70(90)76-51-79-73-24-12-18-30-96(73)111-99(79)55-93(76)108/h7-55H,1-6H3.
What are the key properties of 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole?
7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 1422.70 g/mol, XLogP of 27.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 126631014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).