8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole

C44H27NO — CID 177127924

IUPAC8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5O6)cc4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C44H27NO/c1-2-10-32(11-3-1)45-40-25-22-31(27-39(40)38-23-21-29-9-4-5-12-34(29)44(38)45)28-17-19-30(20-18-28)33-24-26-42-43-36(33)14-8-15-37(43)35-13-6-7-16-41(35)46-42/h1-27H
InChIKeyUDSXDVUGELKRLH-UHFFFAOYSA-N
MW585.71 g/mol
LogP12.20
Rot. Bonds3

About 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole

8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole (PubChem CID 177127924) has the molecular formula C44H27NO and a molecular weight of 585.71 g/mol. Its IUPAC name is 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
PubChem CID177127924
Molecular FormulaC44H27NO
Molecular Weight585.71 g/mol
Exact Mass585.21
IUPAC Name8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5O6)cc4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C44H27NO/c1-2-10-32(11-3-1)45-40-25-22-31(27-39(40)38-23-21-29-9-4-5-12-34(29)44(38)45)28-17-19-30(20-18-28)33-24-26-42-43-36(33)14-8-15-37(43)35-13-6-7-16-41(35)46-42/h1-27H
InChIKeyUDSXDVUGELKRLH-UHFFFAOYSA-N
XLogP12.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]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

9-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 170040268
10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 170041075
9-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 170039763
10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-7-phenylbenzo[c]carbazole
CID 170041969
3-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170044731
3-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 170039841
3-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041254
6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-11-phenylbenzo[a]carbazole
CID 177126978
3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170043910
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
12-[4-[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)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 170043148
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885

Frequently Asked Questions

What is the IUPAC name of 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole (CID 177127924) is 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5O6)cc4)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole?
The InChIKey is UDSXDVUGELKRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO/c1-2-10-32(11-3-1)45-40-25-22-31(27-39(40)38-23-21-29-9-4-5-12-34(29)44(38)45)28-17-19-30(20-18-28)33-24-26-42-43-36(33)14-8-15-37(43)35-13-6-7-16-41(35)46-42/h1-27H.
What are the key properties of 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole?
8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole has a molecular weight of 585.71 g/mol, XLogP of 12.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 177127924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).