3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole

C57H43N — CID 146576469

IUPAC3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H43N/c1-57(2)53-26-13-11-24-48(53)49-32-29-43(37-54(49)57)51(40-19-15-18-39(34-40)38-16-5-3-6-17-38)35-41-28-31-46(47-23-10-9-22-45(41)47)42-30-33-56-52(36-42)50-25-12-14-27-55(50)58(56)44-20-7-4-8-21-44/h3-34,36-37,51H,35H2,1-2H3
InChIKeyOLUUAKSMSUWIQU-UHFFFAOYSA-N
MW741.98 g/mol
LogP14.95
Rot. Bonds7

About 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole

3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole (PubChem CID 146576469) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole
PubChem CID146576469
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H43N/c1-57(2)53-26-13-11-24-48(53)49-32-29-43(37-54(49)57)51(40-19-15-18-39(34-40)38-16-5-3-6-17-38)35-41-28-31-46(47-23-10-9-22-45(41)47)42-30-33-56-52(36-42)50-25-12-14-27-55(50)58(56)44-20-7-4-8-21-44/h3-34,36-37,51H,35H2,1-2H3
InChIKeyOLUUAKSMSUWIQU-UHFFFAOYSA-N
XLogP14.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-[(9,9-dimethylfluoren-2-yl)-[4-(9,9-dimethylfluoren-2-yl)phenyl]methyl]-9-phenylcarbazole
CID 139540569
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
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166890236
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole (CID 146576469) is 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(C(Cc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole?
The InChIKey is OLUUAKSMSUWIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)53-26-13-11-24-48(53)49-32-29-43(37-54(49)57)51(40-19-15-18-39(34-40)38-16-5-3-6-17-38)35-41-28-31-46(47-23-10-9-22-45(41)47)42-30-33-56-52(36-42)50-25-12-14-27-55(50)58(56)44-20-7-4-8-21-44/h3-34,36-37,51H,35H2,1-2H3.
What are the key properties of 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole?
3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole has a molecular weight of 741.98 g/mol, XLogP of 14.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]naphthalen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 146576469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).