2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole

C45H35N — CID 166696086

IUPAC2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2cc(C3C=c4c(c5ccccc5n4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)=CC3)ccc21
InChIInChI=1S/C45H35N/c1-45(2)41-19-11-9-17-37(41)40-28-32(22-24-42(40)45)33-21-23-39-38-18-10-12-20-43(38)46(44(39)29-33)36-26-34(30-13-5-3-6-14-30)25-35(27-36)31-15-7-4-8-16-31/h3-20,22-29,33H,21H2,1-2H3
InChIKeyBWHWCHGBYMFHAQ-UHFFFAOYSA-N
MW589.78 g/mol
LogP10.02
Rot. Bonds4

About 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole

2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole (PubChem CID 166696086) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole
PubChem CID166696086
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2cc(C3C=c4c(c5ccccc5n4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)=CC3)ccc21
InChIInChI=1S/C45H35N/c1-45(2)41-19-11-9-17-37(41)40-28-32(22-24-42(40)45)33-21-23-39-38-18-10-12-20-43(38)46(44(39)29-33)36-26-34(30-13-5-3-6-14-30)25-35(27-36)31-15-7-4-8-16-31/h3-20,22-29,33H,21H2,1-2H3
InChIKeyBWHWCHGBYMFHAQ-UHFFFAOYSA-N
XLogP10.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 122464753
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
2-(7,7-dimethyl-5-phenyl-2,3-dihydroindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 70819630
1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 174277781
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole (CID 166696086) is 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole is CC1(C)c2ccccc2-c2cc(C3C=c4c(c5ccccc5n4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)=CC3)ccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole?
The InChIKey is BWHWCHGBYMFHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-45(2)41-19-11-9-17-37(41)40-28-32(22-24-42(40)45)33-21-23-39-38-18-10-12-20-43(38)46(44(39)29-33)36-26-34(30-13-5-3-6-14-30)25-35(27-36)31-15-7-4-8-16-31/h3-20,22-29,33H,21H2,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole?
2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole has a molecular weight of 589.78 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)-2,3-dihydrocarbazole is sourced from PubChem (CID 166696086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).