9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole

C36H23BrN2O — CID 70812572

IUPAC9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
SMILESBrc1ccc2oc3ccc(N4c5ccccc5C5C=C(n6c7ccccc7c7ccccc76)C=CC54)cc3c2c1
InChIInChI=1S/C36H23BrN2O/c37-22-13-17-35-29(19-22)30-21-24(15-18-36(30)40-35)39-33-12-6-3-9-27(33)28-20-23(14-16-34(28)39)38-31-10-4-1-7-25(31)26-8-2-5-11-32(26)38/h1-21,28,34H
InChIKeyBHKHPWXOTJETIX-UHFFFAOYSA-N
MW579.50 g/mol
LogP10.17
Rot. Bonds2

About 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole

9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole (PubChem CID 70812572) has the molecular formula C36H23BrN2O and a molecular weight of 579.50 g/mol. Its IUPAC name is 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
PubChem CID70812572
Molecular FormulaC36H23BrN2O
Molecular Weight579.50 g/mol
Exact Mass578.10
IUPAC Name9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
SMILESBrc1ccc2oc3ccc(N4c5ccccc5C5C=C(n6c7ccccc7c7ccccc76)C=CC54)cc3c2c1
InChIInChI=1S/C36H23BrN2O/c37-22-13-17-35-29(19-22)30-21-24(15-18-36(30)40-35)39-33-12-6-3-9-27(33)28-20-23(14-16-34(28)39)38-31-10-4-1-7-25(31)26-8-2-5-11-32(26)38/h1-21,28,34H
InChIKeyBHKHPWXOTJETIX-UHFFFAOYSA-N
XLogP10.17
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.50
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-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

3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 70875250
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
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-(5-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)carbazole
CID 59147021
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
CID 87415451
5-(4a,9b-dihydrodibenzofuran-2-yl)-21-dibenzofuran-2-yl-5,21-diazanonacyclo[16.14.1.12,13.04,12.06,11.020,28.022,27.029,33.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20(28),22,24,26,29,31-hexadecaene
CID 163986854
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole
CID 144670243
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole
CID 123923868
9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 88887738

Frequently Asked Questions

What is the IUPAC name of 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole (CID 70812572) is 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole is Brc1ccc2oc3ccc(N4c5ccccc5C5C=C(n6c7ccccc7c7ccccc76)C=CC54)cc3c2c1.
What is the InChIKey of 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole?
The InChIKey is BHKHPWXOTJETIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2O/c37-22-13-17-35-29(19-22)30-21-24(15-18-36(30)40-35)39-33-12-6-3-9-27(33)28-20-23(14-16-34(28)39)38-31-10-4-1-7-25(31)26-8-2-5-11-32(26)38/h1-21,28,34H.
What are the key properties of 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole?
9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 579.50 g/mol, XLogP of 10.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 70812572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).