3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole

C89H60N2 — CID 59236586

IUPAC3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
SMILESC(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)\c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc2-3)cc1
InChIInChI=1S/C89H60N2/c1-5-17-73(18-6-1)89(74-19-7-2-8-20-74)83-59-71(67-45-37-63(38-46-67)31-29-61-33-41-65(42-34-61)69-51-55-87-81(57-69)79-25-13-15-27-85(79)90(87)75-21-9-3-10-22-75)49-53-77(83)78-54-50-72(60-84(78)89)68-47-39-64(40-48-68)32-30-62-35-43-66(44-36-62)70-52-56-88-82(58-70)80-26-14-16-28-86(80)91(88)76-23-11-4-12-24-76/h1-60H/b31-29+,32-30+
InChIKeyBDSKFWUGNQVPGO-JWTBXLROSA-N
MW1157.47 g/mol
LogP23.25
Rot. Bonds12

About 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole

3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole (PubChem CID 59236586) has the molecular formula C89H60N2 and a molecular weight of 1157.47 g/mol. Its IUPAC name is 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
PubChem CID59236586
Molecular FormulaC89H60N2
Molecular Weight1157.47 g/mol
Exact Mass1156.48
IUPAC Name3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
SMILESC(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)\c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc2-3)cc1
InChIInChI=1S/C89H60N2/c1-5-17-73(18-6-1)89(74-19-7-2-8-20-74)83-59-71(67-45-37-63(38-46-67)31-29-61-33-41-65(42-34-61)69-51-55-87-81(57-69)79-25-13-15-27-85(79)90(87)75-21-9-3-10-22-75)49-53-77(83)78-54-50-72(60-84(78)89)68-47-39-64(40-48-68)32-30-62-35-43-66(44-36-62)70-52-56-88-82(58-70)80-26-14-16-28-86(80)91(88)76-23-11-4-12-24-76/h1-60H/b31-29+,32-30+
InChIKeyBDSKFWUGNQVPGO-JWTBXLROSA-N
XLogP23.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.47
LogP ≤ 523.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
3-[4-[(E)-2-[7'-[9,9-diphenyl-7-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]fluoren-2-yl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236244
9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236285
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
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
CID 59236371
3-[4-[(E)-2-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236659
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236572

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole (CID 59236586) is 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole is C(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)\c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(/C=C/c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc2-3)cc1.
What is the InChIKey of 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole?
The InChIKey is BDSKFWUGNQVPGO-JWTBXLROSA-N. The full InChI is InChI=1S/C89H60N2/c1-5-17-73(18-6-1)89(74-19-7-2-8-20-74)83-59-71(67-45-37-63(38-46-67)31-29-61-33-41-65(42-34-61)69-51-55-87-81(57-69)79-25-13-15-27-85(79)90(87)75-21-9-3-10-22-75)49-53-77(83)78-54-50-72(60-84(78)89)68-47-39-64(40-48-68)32-30-62-35-43-66(44-36-62)70-52-56-88-82(58-70)80-26-14-16-28-86(80)91(88)76-23-11-4-12-24-76/h1-60H/b31-29+,32-30+.
What are the key properties of 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole?
3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole has a molecular weight of 1157.47 g/mol, XLogP of 23.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59236586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).