11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole

C48H28N2O — CID 169060617

IUPAC11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc3oc4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc5c6ccccc6c(c2)c3c45)cc1
InChIInChI=1S/C48H28N2O/c1-3-13-29(14-4-1)30-25-39-33-17-7-8-18-34(33)40-27-32(28-44-46(40)45(39)43(26-30)51-44)50-42-22-12-10-20-36(42)38-24-23-37-35-19-9-11-21-41(35)49(47(37)48(38)50)31-15-5-2-6-16-31/h1-28H
InChIKeyZSIMYMBJXQCORW-UHFFFAOYSA-N
MW648.77 g/mol
LogP13.19
Rot. Bonds3

About 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole

11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole (PubChem CID 169060617) has the molecular formula C48H28N2O and a molecular weight of 648.77 g/mol. Its IUPAC name is 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole
PubChem CID169060617
Molecular FormulaC48H28N2O
Molecular Weight648.77 g/mol
Exact Mass648.22
IUPAC Name11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc3oc4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc5c6ccccc6c(c2)c3c45)cc1
InChIInChI=1S/C48H28N2O/c1-3-13-29(14-4-1)30-25-39-33-17-7-8-18-34(33)40-27-32(28-44-46(40)45(39)43(26-30)51-44)50-42-22-12-10-20-36(42)38-24-23-37-35-19-9-11-21-41(35)49(47(37)48(38)50)31-15-5-2-6-16-31/h1-28H
InChIKeyZSIMYMBJXQCORW-UHFFFAOYSA-N
XLogP13.19
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-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

12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169060662
3-[9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 169060870
11-phenyl-12-(4-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6(11),7,9,12(17),13,15-nonaen-8-yl)indolo[2,3-a]carbazole
CID 169060526
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465779
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170268456
23-(4-phenylphenyl)-14-oxa-23-azaheptacyclo[19.11.0.02,7.08,13.015,20.022,30.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22(30),24,26,28,31-pentadecaene
CID 118614797
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole (CID 169060617) is 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole is c1ccc(-c2cc3oc4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc5c6ccccc6c(c2)c3c45)cc1.
What is the InChIKey of 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole?
The InChIKey is ZSIMYMBJXQCORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O/c1-3-13-29(14-4-1)30-25-39-33-17-7-8-18-34(33)40-27-32(28-44-46(40)45(39)43(26-30)51-44)50-42-22-12-10-20-36(42)38-24-23-37-35-19-9-11-21-41(35)49(47(37)48(38)50)31-15-5-2-6-16-31/h1-28H.
What are the key properties of 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole?
11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole has a molecular weight of 648.77 g/mol, XLogP of 13.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 169060617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).