16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene

C50H28N4O — CID 126577933

IUPAC16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
SMILESc1ccc2nc3c(nc2c1)c1cccc2c4cc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)ccc4n3c21
InChIInChI=1S/C50H28N4O/c1-5-14-43-34(8-1)38-27-31(32-20-25-47-40(28-32)35-9-2-6-15-46(35)55-47)19-23-44(38)53(43)33-21-16-29(17-22-33)30-18-24-45-39(26-30)36-10-7-11-37-48-50(54(45)49(36)37)52-42-13-4-3-12-41(42)51-48/h1-28H
InChIKeyADHBWUQSYVIYAE-UHFFFAOYSA-N
MW700.80 g/mol
LogP13.11
Rot. Bonds3

About 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene

16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene (PubChem CID 126577933) has the molecular formula C50H28N4O and a molecular weight of 700.80 g/mol. Its IUPAC name is 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene.

Molecular Properties

Compound Name16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
PubChem CID126577933
Molecular FormulaC50H28N4O
Molecular Weight700.80 g/mol
Exact Mass700.23
IUPAC Name16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
SMILESc1ccc2nc3c(nc2c1)c1cccc2c4cc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)ccc4n3c21
InChIInChI=1S/C50H28N4O/c1-5-14-43-34(8-1)38-27-31(32-20-25-47-40(28-32)35-9-2-6-15-46(35)55-47)19-23-44(38)53(43)33-21-16-29(17-22-33)30-18-24-45-39(26-30)36-10-7-11-37-48-50(54(45)49(36)37)52-42-13-4-3-12-41(42)51-48/h1-28H
InChIKeyADHBWUQSYVIYAE-UHFFFAOYSA-N
XLogP13.11
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.80
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene with MolForge

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Related Compounds

15-dibenzofuran-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577892
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
6-phenyl-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092418
23-phenyl-20-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,21(26),22,24,27-tetradecaene
CID 118615738
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852

Frequently Asked Questions

What is the IUPAC name of 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene?
The IUPAC name of 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene (CID 126577933) is 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene.
What is the SMILES notation for 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene?
The canonical SMILES for 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene is c1ccc2nc3c(nc2c1)c1cccc2c4cc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)ccc4n3c21.
What is the InChIKey of 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene?
The InChIKey is ADHBWUQSYVIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O/c1-5-14-43-34(8-1)38-27-31(32-20-25-47-40(28-32)35-9-2-6-15-46(35)55-47)19-23-44(38)53(43)33-21-16-29(17-22-33)30-18-24-45-39(26-30)36-10-7-11-37-48-50(54(45)49(36)37)52-42-13-4-3-12-41(42)51-48/h1-28H.
What are the key properties of 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene?
16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene has a molecular weight of 700.80 g/mol, XLogP of 13.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene is sourced from PubChem (CID 126577933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).