3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole

C61H42N2 — CID 59236549

IUPAC3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C61H42N2/c1-61(2)54-37-44(40-25-23-39(24-26-40)42-29-33-59-52(35-42)50-18-8-10-20-57(50)62(59)46-15-4-3-5-16-46)27-31-48(54)49-32-28-45(38-55(49)61)43-30-34-60-53(36-43)51-19-9-11-21-58(51)63(60)56-22-12-14-41-13-6-7-17-47(41)56/h3-38H,1-2H3
InChIKeyUAUZNZDDTOFCNV-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.34
Rot. Bonds5

About 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole

3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 59236549) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
PubChem CID59236549
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C61H42N2/c1-61(2)54-37-44(40-25-23-39(24-26-40)42-29-33-59-52(35-42)50-18-8-10-20-57(50)62(59)46-15-4-3-5-16-46)27-31-48(54)49-32-28-45(38-55(49)61)43-30-34-60-53(36-43)51-19-9-11-21-58(51)63(60)56-22-12-14-41-13-6-7-17-47(41)56/h3-38H,1-2H3
InChIKeyUAUZNZDDTOFCNV-UHFFFAOYSA-N
XLogP16.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
7,7-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[2,1-b]carbazole;11,11-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 160620508
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole
CID 162139174
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
3-[4-[(E)-2-[7-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole;3-[(E)-2-[4-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole;3-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9-(4-phenylphenyl)carbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 159938026

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole (CID 59236549) is 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21.
What is the InChIKey of 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is UAUZNZDDTOFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-61(2)54-37-44(40-25-23-39(24-26-40)42-29-33-59-52(35-42)50-18-8-10-20-57(50)62(59)46-15-4-3-5-16-46)27-31-48(54)49-32-28-45(38-55(49)61)43-30-34-60-53(36-43)51-19-9-11-21-58(51)63(60)56-22-12-14-41-13-6-7-17-47(41)56/h3-38H,1-2H3.
What are the key properties of 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole?
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 803.02 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59236549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).