9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole

C46H29N3O — CID 89433824

IUPAC9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C46H29N3O/c1-2-12-30(13-3-1)44-28-33(49-42-20-10-6-16-36(42)37-17-7-11-21-43(37)49)29-47(44)31-22-24-45-38(26-31)39-27-32(23-25-46(39)50-45)48-40-18-8-4-14-34(40)35-15-5-9-19-41(35)48/h1-29H
InChIKeyFNOIHVNVCCRTDK-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.24
Rot. Bonds4

About 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole

9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole (PubChem CID 89433824) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole.

Molecular Properties

Compound Name9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole
PubChem CID89433824
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C46H29N3O/c1-2-12-30(13-3-1)44-28-33(49-42-20-10-6-16-36(42)37-17-7-11-21-43(37)49)29-47(44)31-22-24-45-38(26-31)39-27-32(23-25-46(39)50-45)48-40-18-8-4-14-34(40)35-15-5-9-19-41(35)48/h1-29H
InChIKeyFNOIHVNVCCRTDK-UHFFFAOYSA-N
XLogP12.24
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]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

9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene
CID 144788060
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153

Frequently Asked Questions

What is the IUPAC name of 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole?
The IUPAC name of 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole (CID 89433824) is 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole.
What is the SMILES notation for 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole?
The canonical SMILES for 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1.
What is the InChIKey of 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole?
The InChIKey is FNOIHVNVCCRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-2-12-30(13-3-1)44-28-33(49-42-20-10-6-16-36(42)37-17-7-11-21-43(37)49)29-47(44)31-22-24-45-38(26-31)39-27-32(23-25-46(39)50-45)48-40-18-8-4-14-34(40)35-15-5-9-19-41(35)48/h1-29H.
What are the key properties of 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole?
9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole has a molecular weight of 639.76 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole is sourced from PubChem (CID 89433824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).