9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole

C51H41NO — CID 154947388

IUPAC9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5c(oc4c3)CCC=C5)cc2-c2cc3c(cc21)-c1ccccc1C31CCCCC1
InChIInChI=1S/C51H41NO/c1-50(2)42-22-18-31(26-38(42)40-30-45-39(29-44(40)50)34-12-4-7-15-43(34)51(45)24-10-3-11-25-51)32-19-23-47-41(27-32)35-13-5-8-16-46(35)52(47)33-20-21-37-36-14-6-9-17-48(36)53-49(37)28-33/h4-8,12-16,18-23,26-30H,3,9-11,17,24-25H2,1-2H3
InChIKeyPDIYNENHWADLKM-UHFFFAOYSA-N
MW683.89 g/mol
LogP13.69
Rot. Bonds2

About 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole

9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole (PubChem CID 154947388) has the molecular formula C51H41NO and a molecular weight of 683.89 g/mol. Its IUPAC name is 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole.

Molecular Properties

Compound Name9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole
PubChem CID154947388
Molecular FormulaC51H41NO
Molecular Weight683.89 g/mol
Exact Mass683.32
IUPAC Name9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5c(oc4c3)CCC=C5)cc2-c2cc3c(cc21)-c1ccccc1C31CCCCC1
InChIInChI=1S/C51H41NO/c1-50(2)42-22-18-31(26-38(42)40-30-45-39(29-44(40)50)34-12-4-7-15-43(34)51(45)24-10-3-11-25-51)32-19-23-47-41(27-32)35-13-5-8-16-46(35)52(47)33-20-21-37-36-14-6-9-17-48(36)53-49(37)28-33/h4-8,12-16,18-23,26-30H,3,9-11,17,24-25H2,1-2H3
InChIKeyPDIYNENHWADLKM-UHFFFAOYSA-N
XLogP13.69
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.89
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
5'-dibenzofuran-3-yl-8'-(9-dibenzofuran-3-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 153095210
3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149034875
5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149154937
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
5'-dibenzofuran-3-yl-9'-[9-(4-phenylphenyl)carbazol-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 153035904
2'-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59195936
N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline
CID 156827193
11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole
CID 163491403

Frequently Asked Questions

What is the IUPAC name of 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole?
The IUPAC name of 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole (CID 154947388) is 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole.
What is the SMILES notation for 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole?
The canonical SMILES for 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5c(oc4c3)CCC=C5)cc2-c2cc3c(cc21)-c1ccccc1C31CCCCC1.
What is the InChIKey of 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole?
The InChIKey is PDIYNENHWADLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41NO/c1-50(2)42-22-18-31(26-38(42)40-30-45-39(29-44(40)50)34-12-4-7-15-43(34)51(45)24-10-3-11-25-51)32-19-23-47-41(27-32)35-13-5-8-16-46(35)52(47)33-20-21-37-36-14-6-9-17-48(36)53-49(37)28-33/h4-8,12-16,18-23,26-30H,3,9-11,17,24-25H2,1-2H3.
What are the key properties of 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole?
9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole has a molecular weight of 683.89 g/mol, XLogP of 13.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6,7-dihydrodibenzofuran-3-yl)-3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)carbazole is sourced from PubChem (CID 154947388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).