9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

C58H38N2O — CID 126589944

IUPAC9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESC1=CC2=CC=C(n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)CC2C=C1
InChIInChI=1S/C58H38N2O/c1-2-13-44(14-3-1)59-53-19-8-6-15-47(53)50-34-41(26-30-54(50)59)38-21-23-39(24-22-38)42-27-31-55-51(35-42)52-36-43(46-17-10-18-49-48-16-7-9-20-57(48)61-58(46)49)28-32-56(52)60(55)45-29-25-37-11-4-5-12-40(37)33-45/h1-32,34-36,40H,33H2
InChIKeyQNSHJBXQHPFYEP-UHFFFAOYSA-N
MW778.96 g/mol
LogP15.71
Rot. Bonds5

About 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 126589944) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID126589944
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESC1=CC2=CC=C(n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)CC2C=C1
InChIInChI=1S/C58H38N2O/c1-2-13-44(14-3-1)59-53-19-8-6-15-47(53)50-34-41(26-30-54(50)59)38-21-23-39(24-22-38)42-27-31-55-51(35-42)52-36-43(46-17-10-18-49-48-16-7-9-20-57(48)61-58(46)49)28-32-56(52)60(55)45-29-25-37-11-4-5-12-40(37)33-45/h1-32,34-36,40H,33H2
InChIKeyQNSHJBXQHPFYEP-UHFFFAOYSA-N
XLogP15.71
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]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

5-[3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 126589938
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938

Frequently Asked Questions

What is the IUPAC name of 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 126589944) is 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is C1=CC2=CC=C(n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)CC2C=C1.
What is the InChIKey of 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is QNSHJBXQHPFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-13-44(14-3-1)59-53-19-8-6-15-47(53)50-34-41(26-30-54(50)59)38-21-23-39(24-22-38)42-27-31-55-51(35-42)52-36-43(46-17-10-18-49-48-16-7-9-20-57(48)61-58(46)49)28-32-56(52)60(55)45-29-25-37-11-4-5-12-40(37)33-45/h1-32,34-36,40H,33H2.
What are the key properties of 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 778.96 g/mol, XLogP of 15.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,8a-dihydronaphthalen-2-yl)-3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 126589944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).