2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole

C45H31NO — CID 118099086

IUPAC2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C45H31NO/c1-45(2)38-23-22-35-34-15-9-10-16-42(34)47-44(35)43(38)36-21-18-30(26-39(36)45)31-17-20-33-37-25-29(28-11-5-3-6-12-28)19-24-40(37)46(41(33)27-31)32-13-7-4-8-14-32/h3-27H,1-2H3
InChIKeyGMHRLIIAVXIIIQ-UHFFFAOYSA-N
MW601.75 g/mol
LogP12.32
Rot. Bonds3

About 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole

2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole (PubChem CID 118099086) has the molecular formula C45H31NO and a molecular weight of 601.75 g/mol. Its IUPAC name is 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole.

Molecular Properties

Compound Name2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
PubChem CID118099086
Molecular FormulaC45H31NO
Molecular Weight601.75 g/mol
Exact Mass601.24
IUPAC Name2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C45H31NO/c1-45(2)38-23-22-35-34-15-9-10-16-42(34)47-44(35)43(38)36-21-18-30(26-39(36)45)31-17-20-33-37-25-29(28-11-5-3-6-12-28)19-24-40(37)46(41(33)27-31)32-13-7-4-8-14-32/h3-27H,1-2H3
InChIKeyGMHRLIIAVXIIIQ-UHFFFAOYSA-N
XLogP12.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 158774587
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 160839685
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
9-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 157191783
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213188

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?
The IUPAC name of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole (CID 118099086) is 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole.
What is the SMILES notation for 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?
The canonical SMILES for 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole is CC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?
The InChIKey is GMHRLIIAVXIIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-45(2)38-23-22-35-34-15-9-10-16-42(34)47-44(35)43(38)36-21-18-30(26-39(36)45)31-17-20-33-37-25-29(28-11-5-3-6-12-28)19-24-40(37)46(41(33)27-31)32-13-7-4-8-14-32/h3-27H,1-2H3.
What are the key properties of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole has a molecular weight of 601.75 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole is sourced from PubChem (CID 118099086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).