9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole

C76H55N3 — CID 122472162

IUPAC9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(C)(C)C)cc5)cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8ccccc8c7)ccc65)c4)ccc32)cc1
InChIInChI=1S/C76H55N3/c1-5-49-23-33-61(34-24-49)77-70-21-13-11-19-64(70)66-47-56(29-39-72(66)77)58-42-59(57-30-40-73-67(48-57)65-20-12-14-22-71(65)78(73)62-35-31-60(32-36-62)76(2,3)4)44-63(43-58)79-74-37-27-54(50-15-7-6-8-16-50)45-68(74)69-46-55(28-38-75(69)79)53-26-25-51-17-9-10-18-52(51)41-53/h5-48H,1H2,2-4H3
InChIKeyBLYRUUZLEXLISK-UHFFFAOYSA-N
MW1010.30 g/mol
LogP20.74
Rot. Bonds8

About 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole

9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole (PubChem CID 122472162) has the molecular formula C76H55N3 and a molecular weight of 1010.30 g/mol. Its IUPAC name is 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole.

Molecular Properties

Compound Name9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole
PubChem CID122472162
Molecular FormulaC76H55N3
Molecular Weight1010.30 g/mol
Exact Mass1009.44
IUPAC Name9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(C)(C)C)cc5)cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8ccccc8c7)ccc65)c4)ccc32)cc1
InChIInChI=1S/C76H55N3/c1-5-49-23-33-61(34-24-49)77-70-21-13-11-19-64(70)66-47-56(29-39-72(66)77)58-42-59(57-30-40-73-67(48-57)65-20-12-14-22-71(65)78(73)62-35-31-60(32-36-62)76(2,3)4)44-63(43-58)79-74-37-27-54(50-15-7-6-8-16-50)45-68(74)69-46-55(28-38-75(69)79)53-26-25-51-17-9-10-18-52(51)41-53/h5-48H,1H2,2-4H3
InChIKeyBLYRUUZLEXLISK-UHFFFAOYSA-N
XLogP20.74
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.30
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3,5-bis(4-tert-butylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4-[3,5-bis(3-methylphenyl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3,5-bis(3-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole;12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-2-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 161274428
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
11-(3,5-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)indolo[3,2-b]carbazole
CID 118318933
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
5-[3,5-bis(4-tert-butylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-[3,5-bis(3-methylphenyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3,5-bis(3-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-2,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-(4-naphthalen-1-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-(4-naphthalen-2-ylphenyl)-7-phenylindolo[2,3-b]carbazole
CID 158186135
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659

Frequently Asked Questions

What is the IUPAC name of 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole?
The IUPAC name of 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole (CID 122472162) is 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole.
What is the SMILES notation for 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole?
The canonical SMILES for 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole is C=Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C(C)(C)C)cc5)cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8ccccc8c7)ccc65)c4)ccc32)cc1.
What is the InChIKey of 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole?
The InChIKey is BLYRUUZLEXLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H55N3/c1-5-49-23-33-61(34-24-49)77-70-21-13-11-19-64(70)66-47-56(29-39-72(66)77)58-42-59(57-30-40-73-67(48-57)65-20-12-14-22-71(65)78(73)62-35-31-60(32-36-62)76(2,3)4)44-63(43-58)79-74-37-27-54(50-15-7-6-8-16-50)45-68(74)69-46-55(28-38-75(69)79)53-26-25-51-17-9-10-18-52(51)41-53/h5-48H,1H2,2-4H3.
What are the key properties of 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole?
9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole has a molecular weight of 1010.30 g/mol, XLogP of 20.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole is sourced from PubChem (CID 122472162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).