9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole

C36H24N2O — CID 166928424

IUPAC9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4oc5cccc(-n6c7ccccc7c7ccccc76)c5c4c3)C2C=C1
InChIInChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-34-28(22-23)36-33(18-9-19-35(36)39-34)38-31-16-7-3-12-26(31)27-13-4-8-17-32(27)38/h1-22,24,29H
InChIKeyCQBIWJWQSFKPQC-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.41
Rot. Bonds2

About 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole

9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole (PubChem CID 166928424) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
PubChem CID166928424
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4oc5cccc(-n6c7ccccc7c7ccccc76)c5c4c3)C2C=C1
InChIInChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-34-28(22-23)36-33(18-9-19-35(36)39-34)38-31-16-7-3-12-26(31)27-13-4-8-17-32(27)38/h1-22,24,29H
InChIKeyCQBIWJWQSFKPQC-UHFFFAOYSA-N
XLogP9.41
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole
CID 163460675
10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
CID 163728955
2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167453257
9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 70812572
4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134187059
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole (CID 166928424) is 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole is C1=CC2c3ccccc3N(c3ccc4oc5cccc(-n6c7ccccc7c7ccccc76)c5c4c3)C2C=C1.
What is the InChIKey of 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole?
The InChIKey is CQBIWJWQSFKPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-34-28(22-23)36-33(18-9-19-35(36)39-34)38-31-16-7-3-12-26(31)27-13-4-8-17-32(27)38/h1-22,24,29H.
What are the key properties of 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole?
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole has a molecular weight of 500.60 g/mol, XLogP of 9.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 166928424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).