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

C48H28N2O — CID 169060526

IUPAC11-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
SMILESc1ccc(-c2ccc3oc4cccc5c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6c2c3c45)cc1
InChIInChI=1S/C48H28N2O/c1-3-12-29(13-4-1)32-26-27-43-46-44(32)39-28-31(22-23-33(39)36-18-11-21-42(51-43)45(36)46)50-41-20-10-8-17-35(41)38-25-24-37-34-16-7-9-19-40(34)49(47(37)48(38)50)30-14-5-2-6-15-30/h1-28H
InChIKeyLCDWFBMINOWOCC-UHFFFAOYSA-N
MW648.77 g/mol
LogP13.19
Rot. Bonds3

About 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

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 (PubChem CID 169060526) has the molecular formula C48H28N2O and a molecular weight of 648.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID169060526
Molecular FormulaC48H28N2O
Molecular Weight648.77 g/mol
Exact Mass648.22
IUPAC Name11-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
SMILESc1ccc(-c2ccc3oc4cccc5c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6c2c3c45)cc1
InChIInChI=1S/C48H28N2O/c1-3-12-29(13-4-1)32-26-27-43-46-44(32)39-28-31(22-23-33(39)36-18-11-21-42(51-43)45(36)46)50-41-20-10-8-17-35(41)38-25-24-37-34-16-7-9-19-40(34)49(47(37)48(38)50)30-14-5-2-6-15-30/h1-28H
InChIKeyLCDWFBMINOWOCC-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-(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 with MolForge

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Related Compounds

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
2-phenyl-5-(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)pyrimido[5,4-b]indole
CID 169060798
12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 167030125
12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 130231332
3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599
3-(9-phenylcarbazol-3-yl)-9-(8-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-4-yl)carbazole
CID 169060676
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-1-phenylcarbazole
CID 163433245
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3oc4cccc5c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6c2c3c45)cc1.
What is the InChIKey of 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?
The InChIKey is LCDWFBMINOWOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O/c1-3-12-29(13-4-1)32-26-27-43-46-44(32)39-28-31(22-23-33(39)36-18-11-21-42(51-43)45(36)46)50-41-20-10-8-17-35(41)38-25-24-37-34-16-7-9-19-40(34)49(47(37)48(38)50)30-14-5-2-6-15-30/h1-28H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 169060526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).