9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole

C62H52N2O2 — CID 155362841

IUPAC9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5cc(-n6c7ccc(C(C)C)cc7c7cc(C(C)C)ccc76)ccc5cc4c2c13
InChIInChI=1S/C62H52N2O2/c1-33(2)37-11-17-53-47(25-37)48-26-38(34(3)4)12-18-54(48)63(53)45-15-9-41-29-51-59(31-43(41)23-45)65-57-21-22-58-62(61(51)57)52-30-42-10-16-46(24-44(42)32-60(52)66-58)64-55-19-13-39(35(5)6)27-49(55)50-28-40(36(7)8)14-20-56(50)64/h9-36H,1-8H3
InChIKeySXXITYJPUBHRPP-UHFFFAOYSA-N
MW857.11 g/mol
LogP18.48
Rot. Bonds6

About 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole

9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole (PubChem CID 155362841) has the molecular formula C62H52N2O2 and a molecular weight of 857.11 g/mol. Its IUPAC name is 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole.

Molecular Properties

Compound Name9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole
PubChem CID155362841
Molecular FormulaC62H52N2O2
Molecular Weight857.11 g/mol
Exact Mass856.40
IUPAC Name9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5cc(-n6c7ccc(C(C)C)cc7c7cc(C(C)C)ccc76)ccc5cc4c2c13
InChIInChI=1S/C62H52N2O2/c1-33(2)37-11-17-53-47(25-37)48-26-38(34(3)4)12-18-54(48)63(53)45-15-9-41-29-51-59(31-43(41)23-45)65-57-21-22-58-62(61(51)57)52-30-42-10-16-46(24-44(42)32-60(52)66-58)64-55-19-13-39(35(5)6)27-49(55)50-28-40(36(7)8)14-20-56(50)64/h9-36H,1-8H3
InChIKeySXXITYJPUBHRPP-UHFFFAOYSA-N
XLogP18.48
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.11
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole with MolForge

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Related Compounds

9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-15-isocyano-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole
CID 155644806
9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
CID 155361180
9-(23-carbazol-9-yl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl)carbazole;9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;2-methyl-1-[23-(2-methylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine;4-methyl-1-[23-(4-methylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine;1-(23-piperidin-1-yl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine
CID 158286547
8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362731
9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162781609
8-N,23-N-diphenyl-8-N,23-N-bis(9-phenylcarbazol-3-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362746
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
23-N,23-N-di(dibenzofuran-2-yl)-8-N,8-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360374
1-[23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
CID 155360353
3-propan-2-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 166922874
14-dibenzofuran-3-yl-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 170927828
16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032042

Frequently Asked Questions

What is the IUPAC name of 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole?
The IUPAC name of 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole (CID 155362841) is 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole.
What is the SMILES notation for 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole?
The canonical SMILES for 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole is CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5cc(-n6c7ccc(C(C)C)cc7c7cc(C(C)C)ccc76)ccc5cc4c2c13.
What is the InChIKey of 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole?
The InChIKey is SXXITYJPUBHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2O2/c1-33(2)37-11-17-53-47(25-37)48-26-38(34(3)4)12-18-54(48)63(53)45-15-9-41-29-51-59(31-43(41)23-45)65-57-21-22-58-62(61(51)57)52-30-42-10-16-46(24-44(42)32-60(52)66-58)64-55-19-13-39(35(5)6)27-49(55)50-28-40(36(7)8)14-20-56(50)64/h9-36H,1-8H3.
What are the key properties of 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole?
9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole has a molecular weight of 857.11 g/mol, XLogP of 18.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,6-di(propan-2-yl)carbazole is sourced from PubChem (CID 155362841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).