11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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

C134H83N5O2S2 — CID 158677567

IUPAC11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)c2)cc1.c1ccc(-n2c3cc4ccccc4cc3c3cc4oc5ccccc5c4cc32)cc1.c1ccc(-n2c3ccc4ccccc4c3c3ccc4c5ccccc5oc4c32)cc1.c1ccc2c(c1)sc1cc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3cc12
InChIInChI=1S/C42H27NS.C36H22N2S.2C28H17NO/c1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-33(24-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-27-42-38(26-40(37)43)36-16-8-10-18-41(36)44-42;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-24(20-18-23)38-33-15-7-3-11-27(33)29-22-36-30(21-34(29)38)28-12-4-8-16-35(28)39-36;1-2-10-20(11-3-1)29-25-15-19-9-5-4-8-18(19)14-22(25)23-17-28-24(16-26(23)29)21-12-6-7-13-27(21)30-28;1-2-9-19(10-3-1)29-24-17-14-18-8-4-5-11-20(18)26(24)23-16-15-22-21-12-6-7-13-25(21)30-28(22)27(23)29/h1-27H;1-22H;2*1-17H
InChIKeyIESDVEANOQHPTE-UHFFFAOYSA-N
MW1859.30 g/mol
LogP38.07
Rot. Bonds8

About 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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

11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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 (PubChem CID 158677567) has the molecular formula C134H83N5O2S2 and a molecular weight of 1859.30 g/mol. Its IUPAC name is 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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.

Molecular Properties

Compound Name11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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
PubChem CID158677567
Molecular FormulaC134H83N5O2S2
Molecular Weight1859.30 g/mol
Exact Mass1857.60
IUPAC Name11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)c2)cc1.c1ccc(-n2c3cc4ccccc4cc3c3cc4oc5ccccc5c4cc32)cc1.c1ccc(-n2c3ccc4ccccc4c3c3ccc4c5ccccc5oc4c32)cc1.c1ccc2c(c1)sc1cc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3cc12
InChIInChI=1S/C42H27NS.C36H22N2S.2C28H17NO/c1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-33(24-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-27-42-38(26-40(37)43)36-16-8-10-18-41(36)44-42;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-24(20-18-23)38-33-15-7-3-11-27(33)29-22-36-30(21-34(29)38)28-12-4-8-16-35(28)39-36;1-2-10-20(11-3-1)29-25-15-19-9-5-4-8-18(19)14-22(25)23-17-28-24(16-26(23)29)21-12-6-7-13-27(21)30-28;1-2-9-19(10-3-1)29-24-17-14-18-8-4-5-11-20(18)26(24)23-16-15-22-21-12-6-7-13-25(21)30-28(22)27(23)29/h1-27H;1-22H;2*1-17H
InChIKeyIESDVEANOQHPTE-UHFFFAOYSA-N
XLogP38.07
TPSA50.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001859.30
LogP ≤ 538.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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 with MolForge

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Related Compounds

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CID 157088557
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[a]carbazole;2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157341997
12-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]indolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-12-naphthalen-2-ylindolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 159997098
11-dibenzothiophen-3-yl-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-naphthalen-2-ylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;11-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 158315169
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-4-phenylaniline;N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]-4-phenylaniline;N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 162088152
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CID 161121306
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CID 134223760
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CID 159253152
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CID 163849654
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3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzothiophen-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 164995701
3-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124

Frequently Asked Questions

What is the IUPAC name of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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?
The IUPAC name of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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 158677567) is 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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.
What is the SMILES notation for 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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?
The canonical SMILES for 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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 is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)c2)cc1.c1ccc(-n2c3cc4ccccc4cc3c3cc4oc5ccccc5c4cc32)cc1.c1ccc(-n2c3ccc4ccccc4c3c3ccc4c5ccccc5oc4c32)cc1.c1ccc2c(c1)sc1cc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3cc12.
What is the InChIKey of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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?
The InChIKey is IESDVEANOQHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS.C36H22N2S.2C28H17NO/c1-3-11-28(12-4-1)31-23-32(29-13-5-2-6-14-29)25-33(24-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-27-42-38(26-40(37)43)36-16-8-10-18-41(36)44-42;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-24(20-18-23)38-33-15-7-3-11-27(33)29-22-36-30(21-34(29)38)28-12-4-8-16-35(28)39-36;1-2-10-20(11-3-1)29-25-15-19-9-5-4-8-18(19)14-22(25)23-17-28-24(16-26(23)29)21-12-6-7-13-27(21)30-28;1-2-9-19(10-3-1)29-24-17-14-18-8-4-5-11-20(18)26(24)23-16-15-22-21-12-6-7-13-25(21)30-28(22)27(23)29/h1-27H;1-22H;2*1-17H.
What are the key properties of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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?
11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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 has a molecular weight of 1859.30 g/mol, XLogP of 38.07, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-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 is sourced from PubChem (CID 158677567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).