3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole

C91H60N2 — CID 59236389

IUPAC3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5ccccc5c5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C91H60N2/c1-91(2)83-51-57(35-39-59-41-47-69(71-25-9-7-21-65(59)71)63-43-49-87-81(53-63)79-31-15-17-33-85(79)92(87)89-55-61-19-3-5-23-67(61)73-27-11-13-29-77(73)89)37-45-75(83)76-46-38-58(52-84(76)91)36-40-60-42-48-70(72-26-10-8-22-66(60)72)64-44-50-88-82(54-64)80-32-16-18-34-86(80)93(88)90-56-62-20-4-6-24-68(62)74-28-12-14-30-78(74)90/h3-56H,1-2H3/b39-35+,40-36+
InChIKeyRLXAJZGWCLFOIA-MBIPSJRMSA-N
MW1181.50 g/mol
LogP24.78
Rot. Bonds8

About 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole

3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole (PubChem CID 59236389) has the molecular formula C91H60N2 and a molecular weight of 1181.50 g/mol. Its IUPAC name is 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole.

Molecular Properties

Compound Name3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
PubChem CID59236389
Molecular FormulaC91H60N2
Molecular Weight1181.50 g/mol
Exact Mass1180.48
IUPAC Name3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5ccccc5c5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C91H60N2/c1-91(2)83-51-57(35-39-59-41-47-69(71-25-9-7-21-65(59)71)63-43-49-87-81(53-63)79-31-15-17-33-85(79)92(87)89-55-61-19-3-5-23-67(61)73-27-11-13-29-77(73)89)37-45-75(83)76-46-38-58(52-84(76)91)36-40-60-42-48-70(72-26-10-8-22-66(60)72)64-44-50-88-82(54-64)80-32-16-18-34-86(80)93(88)90-56-62-20-4-6-24-68(62)74-28-12-14-30-78(74)90/h3-56H,1-2H3/b39-35+,40-36+
InChIKeyRLXAJZGWCLFOIA-MBIPSJRMSA-N
XLogP24.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.50
LogP ≤ 524.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[4-[9,9-dimethyl-7-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
CID 59236548
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
CID 59236161
9-(3,5-dimethylphenyl)-3-[4-[(E)-2-[7-[(E)-2-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]carbazole
CID 59236462
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
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
9-naphthalen-2-yl-3-[4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]phenyl]carbazole
CID 59236365
11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
CID 118488779
9-phenanthren-9-yl-3-[4-[7'-[4-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236178
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-[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-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
CID 88569900
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole?
The IUPAC name of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole (CID 59236389) is 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole.
What is the SMILES notation for 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole?
The canonical SMILES for 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole is CC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5ccccc5c5ccccc45)c4ccccc34)cc21.
What is the InChIKey of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole?
The InChIKey is RLXAJZGWCLFOIA-MBIPSJRMSA-N. The full InChI is InChI=1S/C91H60N2/c1-91(2)83-51-57(35-39-59-41-47-69(71-25-9-7-21-65(59)71)63-43-49-87-81(53-63)79-31-15-17-33-85(79)92(87)89-55-61-19-3-5-23-67(61)73-27-11-13-29-77(73)89)37-45-75(83)76-46-38-58(52-84(76)91)36-40-60-42-48-70(72-26-10-8-22-66(60)72)64-44-50-88-82(54-64)80-32-16-18-34-86(80)93(88)90-56-62-20-4-6-24-68(62)74-28-12-14-30-78(74)90/h3-56H,1-2H3/b39-35+,40-36+.
What are the key properties of 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole?
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole has a molecular weight of 1181.50 g/mol, XLogP of 24.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole is sourced from PubChem (CID 59236389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).