9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole

C48H30N2O2 — CID 59182447

IUPAC9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3oc4cc(-c6ccc7c(c6)c6ccccc6n7C)ccc4c35)ccc21
InChIInChI=1S/C48H30N2O2/c1-49-39-11-5-3-8-31(39)36-22-27(16-20-41(36)49)29-14-18-33-38-26-46-47(35-10-7-13-43(48(35)38)51-44(33)24-29)34-19-15-30(25-45(34)52-46)28-17-21-42-37(23-28)32-9-4-6-12-40(32)50(42)2/h3-26H,1-2H3
InChIKeyKFMDIVLFKRKSGQ-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.14
Rot. Bonds2

About 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole

9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole (PubChem CID 59182447) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
PubChem CID59182447
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC Name9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3oc4cc(-c6ccc7c(c6)c6ccccc6n7C)ccc4c35)ccc21
InChIInChI=1S/C48H30N2O2/c1-49-39-11-5-3-8-31(39)36-22-27(16-20-41(36)49)29-14-18-33-38-26-46-47(35-10-7-13-43(48(35)38)51-44(33)24-29)34-19-15-30(25-45(34)52-46)28-17-21-42-37(23-28)32-9-4-6-12-40(32)50(42)2/h3-26H,1-2H3
InChIKeyKFMDIVLFKRKSGQ-UHFFFAOYSA-N
XLogP13.14
TPSA32.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole with MolForge

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Related Compounds

5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59182108
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 121295955
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111
21-naphthalen-2-yl-5-[3-(3-phenylphenyl)carbazol-9-yl]-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 170448395
21-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167138118
9-dibenzothiophen-3-yl-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301066
5-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-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 169060808
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
The IUPAC name of 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole (CID 59182447) is 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
The canonical SMILES for 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole is Cn1c2ccccc2c2cc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3oc4cc(-c6ccc7c(c6)c6ccccc6n7C)ccc4c35)ccc21.
What is the InChIKey of 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
The InChIKey is KFMDIVLFKRKSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-49-39-11-5-3-8-31(39)36-22-27(16-20-41(36)49)29-14-18-33-38-26-46-47(35-10-7-13-43(48(35)38)51-44(33)24-29)34-19-15-30(25-45(34)52-46)28-17-21-42-37(23-28)32-9-4-6-12-40(32)50(42)2/h3-26H,1-2H3.
What are the key properties of 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole has a molecular weight of 666.78 g/mol, XLogP of 13.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole is sourced from PubChem (CID 59182447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).