9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole

C34H25NO2 — CID 143906091

IUPAC9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole
SMILESCCC(C)c1ccc2oc3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4cc3c2c1
InChIInChI=1S/C34H25NO2/c1-3-20(2)21-15-16-31-25(17-21)27-18-26-24-11-8-14-30(34(24)37-33(26)19-32(27)36-31)35-28-12-6-4-9-22(28)23-10-5-7-13-29(23)35/h4-20H,3H2,1-2H3
InChIKeyYOVLMNQRLWHVLO-UHFFFAOYSA-N
MW479.58 g/mol
LogP10.10
Rot. Bonds3

About 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole

9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole (PubChem CID 143906091) has the molecular formula C34H25NO2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole.

Molecular Properties

Compound Name9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole
PubChem CID143906091
Molecular FormulaC34H25NO2
Molecular Weight479.58 g/mol
Exact Mass479.19
IUPAC Name9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole
SMILESCCC(C)c1ccc2oc3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4cc3c2c1
InChIInChI=1S/C34H25NO2/c1-3-20(2)21-15-16-31-25(17-21)27-18-26-24-11-8-14-30(34(24)37-33(26)19-32(27)36-31)35-28-12-6-4-9-22(28)23-10-5-7-13-29(23)35/h4-20H,3H2,1-2H3
InChIKeyYOVLMNQRLWHVLO-UHFFFAOYSA-N
XLogP10.10
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole with MolForge

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Related Compounds

3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-(8-chlorodibenzofuran-4-yl)carbazole
CID 139342225
9-[18-(18-carbazol-9-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-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-(18-pyrido[3,4-b]indol-9-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-nonaen-8-yl)pyrido[3,4-b]indole
CID 59147045
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
2-butan-2-yl-8-phenyldibenzofuran;ethane
CID 142405868
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380

Frequently Asked Questions

What is the IUPAC name of 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole?
The IUPAC name of 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole (CID 143906091) is 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole.
What is the SMILES notation for 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole?
The canonical SMILES for 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole is CCC(C)c1ccc2oc3cc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4cc3c2c1.
What is the InChIKey of 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole?
The InChIKey is YOVLMNQRLWHVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NO2/c1-3-20(2)21-15-16-31-25(17-21)27-18-26-24-11-8-14-30(34(24)37-33(26)19-32(27)36-31)35-28-12-6-4-9-22(28)23-10-5-7-13-29(23)35/h4-20H,3H2,1-2H3.
What are the key properties of 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole?
9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole has a molecular weight of 479.58 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(18-butan-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl)carbazole is sourced from PubChem (CID 143906091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).