24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C108H60N4O2S2 — CID 167082248

IUPAC24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6cccc(-n7c8ccccc8c8c9ccccc9c9c%10ccccc%10sc9c87)c6c5c4)cc3c3c4cccc(-c5ccc6c7ccccc7n(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10c%12ccccc%12c%12c%13ccccc%13sc%12c%10n%11-c%10ccccc%10)cc9c78)c6c5)c4ccc32)cc1
InChIInChI=1S/C108H60N4O2S2/c1-3-22-66(23-4-1)109-86-51-45-61(63-47-55-93-83(59-63)104-89(39-21-41-95(104)114-93)112-85-37-16-12-31-77(85)99-73-27-7-9-29-75(73)102-79-33-14-18-43-97(79)116-108(102)106(99)112)56-80(86)98-72-35-19-34-68(69(72)50-53-90(98)109)65-44-49-71-70-26-11-15-36-84(70)111(91(71)60-65)88-38-20-40-94-103(88)82-58-64(48-54-92(82)113-94)62-46-52-87-81(57-62)100-74-28-8-10-30-76(74)101-78-32-13-17-42-96(78)115-107(101)105(100)110(87)67-24-5-2-6-25-67/h1-60H
InChIKeyMXOMFPYOKQDMQC-UHFFFAOYSA-N
MW1509.83 g/mol
LogP31.07
Rot. Bonds7

About 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 167082248) has the molecular formula C108H60N4O2S2 and a molecular weight of 1509.83 g/mol. Its IUPAC name is 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
PubChem CID167082248
Molecular FormulaC108H60N4O2S2
Molecular Weight1509.83 g/mol
Exact Mass1508.42
IUPAC Name24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6cccc(-n7c8ccccc8c8c9ccccc9c9c%10ccccc%10sc9c87)c6c5c4)cc3c3c4cccc(-c5ccc6c7ccccc7n(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10c%12ccccc%12c%12c%13ccccc%13sc%12c%10n%11-c%10ccccc%10)cc9c78)c6c5)c4ccc32)cc1
InChIInChI=1S/C108H60N4O2S2/c1-3-22-66(23-4-1)109-86-51-45-61(63-47-55-93-83(59-63)104-89(39-21-41-95(104)114-93)112-85-37-16-12-31-77(85)99-73-27-7-9-29-75(73)102-79-33-14-18-43-97(79)116-108(102)106(99)112)56-80(86)98-72-35-19-34-68(69(72)50-53-90(98)109)65-44-49-71-70-26-11-15-36-84(70)111(91(71)60-65)88-38-20-40-94-103(88)82-58-64(48-54-92(82)113-94)62-46-52-87-81(57-62)100-74-28-8-10-30-76(74)101-78-32-13-17-42-96(78)115-107(101)105(100)110(87)67-24-5-2-6-25-67/h1-60H
InChIKeyMXOMFPYOKQDMQC-UHFFFAOYSA-N
XLogP31.07
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001509.83
LogP ≤ 531.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

24-phenyl-20-[9-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 134516169
20-(8-benzo[c]carbazol-7-yldibenzofuran-1-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 134516199
21-phenyl-24-(9-phenylcarbazol-3-yl)-9-oxa-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 118200889
20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 159718900
2-[6-[9-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazol-2-yl]-11,12-diphenyl-8-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]indolo[2,3-a]carbazole
CID 167077856
15-(4-dibenzothiophen-4-ylphenyl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(9-phenylcarbazol-3-yl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[4-(9-phenylcarbazol-3-yl)phenyl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 158535789
24-dibenzothiophen-4-yl-21-phenyl-9-oxa-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 118200890
8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168876
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
12-naphthalen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159358561
12-[3-(9-phenylcarbazol-2-yl)phenyl]-9-thia-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359112
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026

Frequently Asked Questions

What is the IUPAC name of 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 167082248) is 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is c1ccc(-n2c3ccc(-c4ccc5oc6cccc(-n7c8ccccc8c8c9ccccc9c9c%10ccccc%10sc9c87)c6c5c4)cc3c3c4cccc(-c5ccc6c7ccccc7n(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10c%12ccccc%12c%12c%13ccccc%13sc%12c%10n%11-c%10ccccc%10)cc9c78)c6c5)c4ccc32)cc1.
What is the InChIKey of 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The InChIKey is MXOMFPYOKQDMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H60N4O2S2/c1-3-22-66(23-4-1)109-86-51-45-61(63-47-55-93-83(59-63)104-89(39-21-41-95(104)114-93)112-85-37-16-12-31-77(85)99-73-27-7-9-29-75(73)102-79-33-14-18-43-97(79)116-108(102)106(99)112)56-80(86)98-72-35-19-34-68(69(72)50-53-90(98)109)65-44-49-71-70-26-11-15-36-84(70)111(91(71)60-65)88-38-20-40-94-103(88)82-58-64(48-54-92(82)113-94)62-46-52-87-81(57-62)100-74-28-8-10-30-76(74)101-78-32-13-17-42-96(78)115-107(101)105(100)110(87)67-24-5-2-6-25-67/h1-60H.
What are the key properties of 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 1509.83 g/mol, XLogP of 31.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 24-phenyl-20-[9-[2-[7-phenyl-10-[9-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)dibenzofuran-2-yl]benzo[c]carbazol-4-yl]carbazol-9-yl]dibenzofuran-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 167082248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).