12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole

C66H43N3O2 — CID 159915840

IUPAC12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc2ccccc2cc1n3-c1ccc(-c2cccc3oc4ccccc4c23)cn1.c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C42H28N2O.C24H15NO/c1-42(2)34-15-7-5-12-29(34)31-23-37-33(22-35(31)42)32-20-25-10-3-4-11-26(25)21-36(32)44(37)40-19-18-27(24-43-40)28-14-9-17-39-41(28)30-13-6-8-16-38(30)45-39;1-2-8-16(9-3-1)25-21-12-6-4-10-17(21)19-15-24-20(14-22(19)25)18-11-5-7-13-23(18)26-24/h3-24H,1-2H3;1-15H
InChIKeyNXTOJEWUWRUSNZ-UHFFFAOYSA-N
MW910.09 g/mol
LogP17.89
Rot. Bonds3

About 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole

12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 159915840) has the molecular formula C66H43N3O2 and a molecular weight of 910.09 g/mol. Its IUPAC name is 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID159915840
Molecular FormulaC66H43N3O2
Molecular Weight910.09 g/mol
Exact Mass909.34
IUPAC Name12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc2ccccc2cc1n3-c1ccc(-c2cccc3oc4ccccc4c23)cn1.c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C42H28N2O.C24H15NO/c1-42(2)34-15-7-5-12-29(34)31-23-37-33(22-35(31)42)32-20-25-10-3-4-11-26(25)21-36(32)44(37)40-19-18-27(24-43-40)28-14-9-17-39-41(28)30-13-6-8-16-38(30)45-39;1-2-8-16(9-3-1)25-21-12-6-4-10-17(21)19-15-24-20(14-22(19)25)18-11-5-7-13-23(18)26-24/h3-24H,1-2H3;1-15H
InChIKeyNXTOJEWUWRUSNZ-UHFFFAOYSA-N
XLogP17.89
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.09
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223350
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-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 147587189
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246
9-[2-dibenzofuran-2-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 161410488
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
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
2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 168768795

Frequently Asked Questions

What is the IUPAC name of 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 159915840) is 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc2ccccc2cc1n3-c1ccc(-c2cccc3oc4ccccc4c23)cn1.c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1.
What is the InChIKey of 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is NXTOJEWUWRUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O.C24H15NO/c1-42(2)34-15-7-5-12-29(34)31-23-37-33(22-35(31)42)32-20-25-10-3-4-11-26(25)21-36(32)44(37)40-19-18-27(24-43-40)28-14-9-17-39-41(28)30-13-6-8-16-38(30)45-39;1-2-8-16(9-3-1)25-21-12-6-4-10-17(21)19-15-24-20(14-22(19)25)18-11-5-7-13-23(18)26-24/h3-24H,1-2H3;1-15H.
What are the key properties of 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole?
12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 910.09 g/mol, XLogP of 17.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(5-dibenzofuran-1-yl-2-pyridinyl)-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 159915840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).