9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole

C49H29NO2 — CID 163426204

IUPAC9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C49H29NO2/c1-4-16-38-32(12-1)36-28-30(24-26-39(36)49(38)40-17-5-9-22-46(40)51-47-23-10-6-18-41(47)49)31-25-27-43-37(29-31)33-13-2-7-19-42(33)50(43)44-20-11-15-35-34-14-3-8-21-45(34)52-48(35)44/h1-29H
InChIKeyAMSUOBSVAIRFJR-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.82
Rot. Bonds2

About 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole

9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole (PubChem CID 163426204) has the molecular formula C49H29NO2 and a molecular weight of 663.78 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole
PubChem CID163426204
Molecular FormulaC49H29NO2
Molecular Weight663.78 g/mol
Exact Mass663.22
IUPAC Name9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C49H29NO2/c1-4-16-38-32(12-1)36-28-30(24-26-39(36)49(38)40-17-5-9-22-46(40)51-47-23-10-6-18-41(47)49)31-25-27-43-37(29-31)33-13-2-7-19-42(33)50(43)44-20-11-15-35-34-14-3-8-21-45(34)52-48(35)44/h1-29H
InChIKeyAMSUOBSVAIRFJR-UHFFFAOYSA-N
XLogP12.82
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide
CID 140938201
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
2'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];2'-dibenzothiophen-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];2'-(9,9-dimethylfluoren-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];2'-(9,9-dimethylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 159782191
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole?
The IUPAC name of 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole (CID 163426204) is 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)ccc21.
What is the InChIKey of 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole?
The InChIKey is AMSUOBSVAIRFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2/c1-4-16-38-32(12-1)36-28-30(24-26-39(36)49(38)40-17-5-9-22-46(40)51-47-23-10-6-18-41(47)49)31-25-27-43-37(29-31)33-13-2-7-19-42(33)50(43)44-20-11-15-35-34-14-3-8-21-45(34)52-48(35)44/h1-29H.
What are the key properties of 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole?
9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole has a molecular weight of 663.78 g/mol, XLogP of 12.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole is sourced from PubChem (CID 163426204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).