11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole

C54H34N2 — CID 145210904

IUPAC11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole
SMILESC=CC1=C(C=C)c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4ccc5ccccc5c43)c3cccc1c23
InChIInChI=1S/C54H34N2/c1-3-37-38(4-2)43-27-30-50(45-20-12-19-42(37)53(43)45)56-52-29-25-36(32-47(52)44-26-23-34-14-6-8-17-40(34)54(44)56)35-24-28-51-46(31-35)41-18-9-10-21-49(41)55(51)48-22-11-15-33-13-5-7-16-39(33)48/h3-32H,1-2H2
InChIKeyIUKPPOFWSWWSCR-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.60
Rot. Bonds5

About 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole

11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole (PubChem CID 145210904) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole.

Molecular Properties

Compound Name11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole
PubChem CID145210904
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole
SMILESC=CC1=C(C=C)c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4ccc5ccccc5c43)c3cccc1c23
InChIInChI=1S/C54H34N2/c1-3-37-38(4-2)43-27-30-50(45-20-12-19-42(37)53(43)45)56-52-29-25-36(32-47(52)44-26-23-34-14-6-8-17-40(34)54(44)56)35-24-28-51-46(31-35)41-18-9-10-21-49(41)55(51)48-22-11-15-33-13-5-7-16-39(33)48/h3-32H,1-2H2
InChIKeyIUKPPOFWSWWSCR-UHFFFAOYSA-N
XLogP14.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326359
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
CID 167243659
8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304321
2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
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
8-[9-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326404
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
3-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]-9-phenylcarbazole;8-(9-naphthalen-1-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 160934909
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866

Frequently Asked Questions

What is the IUPAC name of 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole?
The IUPAC name of 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole (CID 145210904) is 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole.
What is the SMILES notation for 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole?
The canonical SMILES for 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole is C=CC1=C(C=C)c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4ccc5ccccc5c43)c3cccc1c23.
What is the InChIKey of 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole?
The InChIKey is IUKPPOFWSWWSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-37-38(4-2)43-27-30-50(45-20-12-19-42(37)53(43)45)56-52-29-25-36(32-47(52)44-26-23-34-14-6-8-17-40(34)54(44)56)35-24-28-51-46(31-35)41-18-9-10-21-49(41)55(51)48-22-11-15-33-13-5-7-16-39(33)48/h3-32H,1-2H2.
What are the key properties of 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole?
11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole has a molecular weight of 710.88 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1,2-bis(ethenyl)acenaphthylen-5-yl]-8-(9-naphthalen-1-ylcarbazol-3-yl)benzo[a]carbazole is sourced from PubChem (CID 145210904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).