2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole

C60H38N4O — CID 71059003

IUPAC2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)c3c(ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6ccc7oc8ccccc8c7c6)c53)n4-c3ccccc3)C2C=C1
InChIInChI=1S/C60H38N4O/c1-2-14-37(15-3-1)61-55-31-27-39(63-52-23-11-6-18-43(52)44-19-7-12-24-53(44)63)36-49(55)59-56(61)32-29-46-47-34-38(62-50-21-9-4-16-41(50)42-17-5-10-22-51(42)62)26-30-54(47)64(60(46)59)40-28-33-58-48(35-40)45-20-8-13-25-57(45)65-58/h1-36,43,52H
InChIKeyVBRINBIVDJTDHO-UHFFFAOYSA-N
MW830.99 g/mol
LogP15.61
Rot. Bonds4

About 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole

2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole (PubChem CID 71059003) has the molecular formula C60H38N4O and a molecular weight of 830.99 g/mol. Its IUPAC name is 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
PubChem CID71059003
Molecular FormulaC60H38N4O
Molecular Weight830.99 g/mol
Exact Mass830.30
IUPAC Name2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)c3c(ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6ccc7oc8ccccc8c7c6)c53)n4-c3ccccc3)C2C=C1
InChIInChI=1S/C60H38N4O/c1-2-14-37(15-3-1)61-55-31-27-39(63-52-23-11-6-18-43(52)44-19-7-12-24-53(44)63)36-49(55)59-56(61)32-29-46-47-34-38(62-50-21-9-4-16-41(50)42-17-5-10-22-51(42)62)26-30-54(47)64(60(46)59)40-28-33-58-48(35-40)45-20-8-13-25-57(45)65-58/h1-36,43,52H
InChIKeyVBRINBIVDJTDHO-UHFFFAOYSA-N
XLogP15.61
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.99
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]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-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
CID 67953610
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 123179485
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 144930867
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557

Frequently Asked Questions

What is the IUPAC name of 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole (CID 71059003) is 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole is C1=CC2c3ccccc3N(c3ccc4c(c3)c3c(ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6ccc7oc8ccccc8c7c6)c53)n4-c3ccccc3)C2C=C1.
What is the InChIKey of 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole?
The InChIKey is VBRINBIVDJTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O/c1-2-14-37(15-3-1)61-55-31-27-39(63-52-23-11-6-18-43(52)44-19-7-12-24-53(44)63)36-49(55)59-56(61)32-29-46-47-34-38(62-50-21-9-4-16-41(50)42-17-5-10-22-51(42)62)26-30-54(47)64(60(46)59)40-28-33-58-48(35-40)45-20-8-13-25-57(45)65-58/h1-36,43,52H.
What are the key properties of 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole?
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole has a molecular weight of 830.99 g/mol, XLogP of 15.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 71059003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).