3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole

C28H17NO — CID 148893383

IUPAC3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4[nH]c5ccccc5c4c3)ccc1O2
InChIInChI=1S/C28H17NO/c1-2-9-24-20(7-1)22-15-18(11-13-25(22)29-24)19-12-14-26-23(16-19)21-8-3-5-17-6-4-10-27(30-26)28(17)21/h1-16,29H
InChIKeyPFJLIAFKLBRCPI-UHFFFAOYSA-N
MW383.45 g/mol
LogP7.91
Rot. Bonds1

About 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole

3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole (PubChem CID 148893383) has the molecular formula C28H17NO and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole
PubChem CID148893383
Molecular FormulaC28H17NO
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC Name3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4[nH]c5ccccc5c4c3)ccc1O2
InChIInChI=1S/C28H17NO/c1-2-9-24-20(7-1)22-15-18(11-13-25(22)29-24)19-12-14-26-23(16-19)21-8-3-5-17-6-4-10-27(30-26)28(17)21/h1-16,29H
InChIKeyPFJLIAFKLBRCPI-UHFFFAOYSA-N
XLogP7.91
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-oxa-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene
CID 135273941
N,N-bis(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)aniline
CID 174306481
4-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299288
4-(3-dibenzothiophen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299128
4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 176590417
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-phenylaniline
CID 174305309
N-(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-(4-phenylphenyl)aniline
CID 174305442
5-naphthalen-1-yl-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)benzo[b]carbazole
CID 177127912
2-naphthalen-1-yl-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164937302
4-(7-phenylbenzo[a]anthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171045026
4-(3-naphtho[1,2-b]phenanthren-14-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171044997
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707

Frequently Asked Questions

What is the IUPAC name of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole?
The IUPAC name of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole (CID 148893383) is 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole.
What is the SMILES notation for 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole?
The canonical SMILES for 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole is c1cc2c3c(cccc3c1)-c1cc(-c3ccc4[nH]c5ccccc5c4c3)ccc1O2.
What is the InChIKey of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole?
The InChIKey is PFJLIAFKLBRCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17NO/c1-2-9-24-20(7-1)22-15-18(11-13-25(22)29-24)19-12-14-26-23(16-19)21-8-3-5-17-6-4-10-27(30-26)28(17)21/h1-16,29H.
What are the key properties of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole?
3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole has a molecular weight of 383.45 g/mol, XLogP of 7.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole is sourced from PubChem (CID 148893383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).