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

C58H34N2OS — CID 134516169

IUPAC24-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
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5oc6ccc(-c7ccc8c(c7)c7c9ccccc9c9c%10ccccc%10sc9c7n8-c7ccccc7)cc6c45)cccc32)cc1
InChIInChI=1S/C58H34N2OS/c1-3-15-37(16-4-1)59-47-25-11-9-21-43(47)53-39(23-13-26-49(53)59)40-24-14-27-51-54(40)46-34-36(30-32-50(46)61-51)35-29-31-48-45(33-35)55-41-19-7-8-20-42(41)56-44-22-10-12-28-52(44)62-58(56)57(55)60(48)38-17-5-2-6-18-38/h1-34H
InChIKeyRHUXSQDBUWZGRV-UHFFFAOYSA-N
MW806.99 g/mol
LogP16.64
Rot. Bonds4

About 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

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 (PubChem CID 134516169) has the molecular formula C58H34N2OS and a molecular weight of 806.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name24-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
PubChem CID134516169
Molecular FormulaC58H34N2OS
Molecular Weight806.99 g/mol
Exact Mass806.24
IUPAC Name24-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
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5oc6ccc(-c7ccc8c(c7)c7c9ccccc9c9c%10ccccc%10sc9c7n8-c7ccccc7)cc6c45)cccc32)cc1
InChIInChI=1S/C58H34N2OS/c1-3-15-37(16-4-1)59-47-25-11-9-21-43(47)53-39(23-13-26-49(53)59)40-24-14-27-51-54(40)46-34-36(30-32-50(46)61-51)35-29-31-48-45(33-35)55-41-19-7-8-20-42(41)56-44-22-10-12-28-52(44)62-58(56)57(55)60(48)38-17-5-2-6-18-38/h1-34H
InChIKeyRHUXSQDBUWZGRV-UHFFFAOYSA-N
XLogP16.64
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.99
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
1-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 130265326
24-(4-phenylphenyl)-20-[4-[24-(4-phenylphenyl)-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-undecaen-20-yl]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 129038210
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
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
4-dibenzofuran-2-yl-2-(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)-[1]benzofuro[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-(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)-[1]benzofuro[3,2-d]pyrimidine;4-(9-phenylcarbazol-3-yl)-2-(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)-[1]benzofuro[3,2-d]pyrimidine
CID 159780969
3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
20-carbazol-9-yl-24-(4-phenylphenyl)-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 129038228
24-[3-(3-phenylphenyl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 155793719
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3c(-c4cccc5oc6ccc(-c7ccc8c(c7)c7c9ccccc9c9c%10ccccc%10sc9c7n8-c7ccccc7)cc6c45)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is RHUXSQDBUWZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2OS/c1-3-15-37(16-4-1)59-47-25-11-9-21-43(47)53-39(23-13-26-49(53)59)40-24-14-27-51-54(40)46-34-36(30-32-50(46)61-51)35-29-31-48-45(33-35)55-41-19-7-8-20-42(41)56-44-22-10-12-28-52(44)62-58(56)57(55)60(48)38-17-5-2-6-18-38/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 806.99 g/mol, XLogP of 16.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134516169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).