3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole

C51H37N — CID 129311960

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C51H37N/c1-51(2)47-19-11-9-17-43(47)44-27-25-39(33-48(44)51)37-23-21-36(22-24-37)38-26-28-50-46(32-38)45-18-10-12-20-49(45)52(50)42-30-40(34-13-5-3-6-14-34)29-41(31-42)35-15-7-4-8-16-35/h3-33H,1-2H3
InChIKeyKXOONUCDYYENFV-UHFFFAOYSA-N
MW663.86 g/mol
LogP13.76
Rot. Bonds5

About 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole

3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole (PubChem CID 129311960) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
PubChem CID129311960
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C51H37N/c1-51(2)47-19-11-9-17-43(47)44-27-25-39(33-48(44)51)37-23-21-36(22-24-37)38-26-28-50-46(32-38)45-18-10-12-20-49(45)52(50)42-30-40(34-13-5-3-6-14-34)29-41(31-42)35-15-7-4-8-16-35/h3-33H,1-2H3
InChIKeyKXOONUCDYYENFV-UHFFFAOYSA-N
XLogP13.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
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
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole (CID 129311960) is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
The InChIKey is KXOONUCDYYENFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)47-19-11-9-17-43(47)44-27-25-39(33-48(44)51)37-23-21-36(22-24-37)38-26-28-50-46(32-38)45-18-10-12-20-49(45)52(50)42-30-40(34-13-5-3-6-14-34)29-41(31-42)35-15-7-4-8-16-35/h3-33H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole?
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole has a molecular weight of 663.86 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 129311960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).