6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole

C29H27NO — CID 169027749

IUPAC6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole
SMILESCn1c2ccccc2c2cc3c(oc4ccccc43)c(C34CC5CC(CC(C5)C3)C4)c21
InChIInChI=1S/C29H27NO/c1-30-24-8-4-2-6-20(24)22-13-23-21-7-3-5-9-25(21)31-28(23)26(27(22)30)29-14-17-10-18(15-29)12-19(11-17)16-29/h2-9,13,17-19H,10-12,14-16H2,1H3
InChIKeyJYQWCKMYTUKJAY-UHFFFAOYSA-N
MW405.54 g/mol
LogP7.70
Rot. Bonds1

About 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole

6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 169027749) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole
PubChem CID169027749
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole
SMILESCn1c2ccccc2c2cc3c(oc4ccccc43)c(C34CC5CC(CC(C5)C3)C4)c21
InChIInChI=1S/C29H27NO/c1-30-24-8-4-2-6-20(24)22-13-23-21-7-3-5-9-25(21)31-28(23)26(27(22)30)29-14-17-10-18(15-29)12-19(11-17)16-29/h2-9,13,17-19H,10-12,14-16H2,1H3
InChIKeyJYQWCKMYTUKJAY-UHFFFAOYSA-N
XLogP7.70
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol
CID 155680737
12-(1-adamantyl)-14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169027931
4,23-dioxa-1,20-diazaundecacyclo[19.17.1.12,13.03,11.05,10.014,19.022,30.024,29.032,39.033,38.020,40]tetraconta-2(40),3(11),5,7,9,12,14,16,18,21(39),22(30),24,26,28,31,33,35,37-octadecaene
CID 171595148
7-(1-adamantyl)-14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 169027953
10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
CID 59221820
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
6-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 123156036
2-(3-ethyl-3-bicyclo[3.2.1]octanyl)-12-methyl-[1]benzofuro[3,2-a]carbazole
CID 170105915
2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170924890
N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543145
2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole
CID 169055103
9-[4-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]phenyl]carbazole-3-carbonitrile
CID 168808359

Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole (CID 169027749) is 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole is Cn1c2ccccc2c2cc3c(oc4ccccc43)c(C34CC5CC(CC(C5)C3)C4)c21.
What is the InChIKey of 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is JYQWCKMYTUKJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-30-24-8-4-2-6-20(24)22-13-23-21-7-3-5-9-25(21)31-28(23)26(27(22)30)29-14-17-10-18(15-29)12-19(11-17)16-29/h2-9,13,17-19H,10-12,14-16H2,1H3.
What are the key properties of 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole?
6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 405.54 g/mol, XLogP of 7.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 169027749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).