3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole

C54H31NO — CID 155008109

IUPAC3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c8cccc9ccc%10cccc(c7c6c5)c%10c98)c5ccccc45)ccc32)cc1
InChIInChI=1S/C54H31NO/c1-2-14-36(15-3-1)55-46-23-9-8-16-37(46)44-30-34(26-28-47(44)55)49-38-17-4-6-19-40(38)50(41-20-7-5-18-39(41)49)35-27-29-48-45(31-35)53-42-21-10-12-32-24-25-33-13-11-22-43(54(53)56-48)52(33)51(32)42/h1-31H
InChIKeyDGZLSYUAJMEXCT-UHFFFAOYSA-N
MW709.85 g/mol
LogP15.22
Rot. Bonds3

About 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole

3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 155008109) has the molecular formula C54H31NO and a molecular weight of 709.85 g/mol. Its IUPAC name is 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID155008109
Molecular FormulaC54H31NO
Molecular Weight709.85 g/mol
Exact Mass709.24
IUPAC Name3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c8cccc9ccc%10cccc(c7c6c5)c%10c98)c5ccccc45)ccc32)cc1
InChIInChI=1S/C54H31NO/c1-2-14-36(15-3-1)55-46-23-9-8-16-37(46)44-30-34(26-28-47(44)55)49-38-17-4-6-19-40(38)50(41-20-7-5-18-39(41)49)35-27-29-48-45(31-35)53-42-21-10-12-32-24-25-33-13-11-22-43(54(53)56-48)52(33)51(32)42/h1-31H
InChIKeyDGZLSYUAJMEXCT-UHFFFAOYSA-N
XLogP15.22
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.85
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole 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

3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
CID 176777793
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744622
12,12-dimethyl-8-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-17-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole
CID 155008328
17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
CID 155008327
2-[2-[10-(9-naphthalen-2-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 155454157
3-(4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146658073
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole
CID 176745422
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole
CID 176745637
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366

Frequently Asked Questions

What is the IUPAC name of 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole (CID 155008109) is 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c8cccc9ccc%10cccc(c7c6c5)c%10c98)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is DGZLSYUAJMEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31NO/c1-2-14-36(15-3-1)55-46-23-9-8-16-37(46)44-30-34(26-28-47(44)55)49-38-17-4-6-19-40(38)50(41-20-7-5-18-39(41)49)35-27-29-48-45(31-35)53-42-21-10-12-32-24-25-33-13-11-22-43(54(53)56-48)52(33)51(32)42/h1-31H.
What are the key properties of 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole?
3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 709.85 g/mol, XLogP of 15.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 155008109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).