12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole

C58H35N5O — CID 140904004

IUPAC12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C58H35N5O/c1-3-15-36(16-4-1)48-35-49(37-27-32-55-47(33-37)43-22-10-14-26-54(43)64-55)60-58(59-48)63-52-25-13-8-20-41(52)45-30-29-44-40-19-7-12-24-51(40)62(56(44)57(45)63)39-28-31-53-46(34-39)42-21-9-11-23-50(42)61(53)38-17-5-2-6-18-38/h1-35H
InChIKeyFBCCGENDYYJIIT-UHFFFAOYSA-N
MW817.95 g/mol
LogP15.00
Rot. Bonds5

About 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole

12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole (PubChem CID 140904004) has the molecular formula C58H35N5O and a molecular weight of 817.95 g/mol. Its IUPAC name is 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole
PubChem CID140904004
Molecular FormulaC58H35N5O
Molecular Weight817.95 g/mol
Exact Mass817.28
IUPAC Name12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C58H35N5O/c1-3-15-36(16-4-1)48-35-49(37-27-32-55-47(33-37)43-22-10-14-26-54(43)64-55)60-58(59-48)63-52-25-13-8-20-41(52)45-30-29-44-40-19-7-12-24-51(40)62(56(44)57(45)63)39-28-31-53-46(34-39)42-21-9-11-23-50(42)61(53)38-17-5-2-6-18-38/h1-35H
InChIKeyFBCCGENDYYJIIT-UHFFFAOYSA-N
XLogP15.00
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.95
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-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

3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
11-(3-carbazol-9-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 160728893
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 168729255
11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170268393
11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118479991
4-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 140957310
12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 166874957
15-(4,6-diphenylpyrimidin-2-yl)-4-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 140957383
12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014786
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 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole (CID 140904004) is 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole?
The InChIKey is FBCCGENDYYJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5O/c1-3-15-36(16-4-1)48-35-49(37-27-32-55-47(33-37)43-22-10-14-26-54(43)64-55)60-58(59-48)63-52-25-13-8-20-41(52)45-30-29-44-40-19-7-12-24-51(40)62(56(44)57(45)63)39-28-31-53-46(34-39)42-21-9-11-23-50(42)61(53)38-17-5-2-6-18-38/h1-35H.
What are the key properties of 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole?
12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole has a molecular weight of 817.95 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 140904004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).