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

C54H34N2O2 — CID 163719008

IUPAC9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4oc5c(-c6cccc(-c7cccc8c7oc7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)c6)cccc5c4c3)C2C=C1
InChIInChI=1S/C54H34N2O2/c1-5-22-47-39(14-1)40-15-2-6-23-48(40)55(47)35-26-28-51-45(31-35)43-20-10-18-37(53(43)57-51)33-12-9-13-34(30-33)38-19-11-21-44-46-32-36(27-29-52(46)58-54(38)44)56-49-24-7-3-16-41(49)42-17-4-8-25-50(42)56/h1-32,39,47H
InChIKeyKPVYXSUIPRCVCU-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.65
Rot. Bonds4

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

9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 163719008) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
PubChem CID163719008
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC Name9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4oc5c(-c6cccc(-c7cccc8c7oc7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)c6)cccc5c4c3)C2C=C1
InChIInChI=1S/C54H34N2O2/c1-5-22-47-39(14-1)40-15-2-6-23-48(40)55(47)35-26-28-51-45(31-35)43-20-10-18-37(53(43)57-51)33-12-9-13-34(30-33)38-19-11-21-44-46-32-36(27-29-52(46)58-54(38)44)56-49-24-7-3-16-41(49)42-17-4-8-25-50(42)56/h1-32,39,47H
InChIKeyKPVYXSUIPRCVCU-UHFFFAOYSA-N
XLogP14.65
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
CID 163934988
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-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
CID 70956943
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole
CID 163460675
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
CID 155237382
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864

Frequently Asked Questions

What is the IUPAC name of 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole (CID 163719008) is 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole is C1=CC2c3ccccc3N(c3ccc4oc5c(-c6cccc(-c7cccc8c7oc7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)c6)cccc5c4c3)C2C=C1.
What is the InChIKey of 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole?
The InChIKey is KPVYXSUIPRCVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-5-22-47-39(14-1)40-15-2-6-23-48(40)55(47)35-26-28-51-45(31-35)43-20-10-18-37(53(43)57-51)33-12-9-13-34(30-33)38-19-11-21-44-46-32-36(27-29-52(46)58-54(38)44)56-49-24-7-3-16-41(49)42-17-4-8-25-50(42)56/h1-32,39,47H.
What are the key properties of 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole?
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 742.88 g/mol, XLogP of 14.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 163719008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).