2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C103H79N7O2 — CID 89046537

IUPAC2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESC1=CCC(c2ccc3c(c2)c2ccccc2n3-c2ccc(CCCc3ccc(-c4nnc(-c5cc(CCCc6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc6)cc(-c6nnc(-c7ccc(CCCc8ccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)ccc%109)cc8)cc7)o6)c5)o4)cc3)cc2)C=C1
InChIInChI=1S/C103H79N7O2/c1-4-25-75(26-5-1)80-51-60-97-91(66-80)88-31-10-13-34-94(88)108(97)85-54-41-71(42-55-85)21-16-19-69-37-47-78(48-38-69)100-104-106-102(111-100)83-63-74(24-18-23-73-45-58-87(59-46-73)110-96-36-15-12-33-90(96)93-68-82(53-62-99(93)110)77-29-8-3-9-30-77)64-84(65-83)103-107-105-101(112-103)79-49-39-70(40-50-79)20-17-22-72-43-56-86(57-44-72)109-95-35-14-11-32-89(95)92-67-81(52-61-98(92)109)76-27-6-2-7-28-76/h1-15,25-27,29-68,76H,16-24,28H2
InChIKeyVLSPQUAIIBPMTC-UHFFFAOYSA-N
MW1446.81 g/mol
LogP25.87
Rot. Bonds22

About 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 89046537) has the molecular formula C103H79N7O2 and a molecular weight of 1446.81 g/mol. Its IUPAC name is 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID89046537
Molecular FormulaC103H79N7O2
Molecular Weight1446.81 g/mol
Exact Mass1445.63
IUPAC Name2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESC1=CCC(c2ccc3c(c2)c2ccccc2n3-c2ccc(CCCc3ccc(-c4nnc(-c5cc(CCCc6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc6)cc(-c6nnc(-c7ccc(CCCc8ccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)ccc%109)cc8)cc7)o6)c5)o4)cc3)cc2)C=C1
InChIInChI=1S/C103H79N7O2/c1-4-25-75(26-5-1)80-51-60-97-91(66-80)88-31-10-13-34-94(88)108(97)85-54-41-71(42-55-85)21-16-19-69-37-47-78(48-38-69)100-104-106-102(111-100)83-63-74(24-18-23-73-45-58-87(59-46-73)110-96-36-15-12-33-90(96)93-68-82(53-62-99(93)110)77-29-8-3-9-30-77)64-84(65-83)103-107-105-101(112-103)79-49-39-70(40-50-79)20-17-22-72-43-56-86(57-44-72)109-95-35-14-11-32-89(95)92-67-81(52-61-98(92)109)76-27-6-2-7-28-76/h1-15,25-27,29-68,76H,16-24,28H2
InChIKeyVLSPQUAIIBPMTC-UHFFFAOYSA-N
XLogP25.87
TPSA92.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001446.81
LogP ≤ 525.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 89046537) is 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is C1=CCC(c2ccc3c(c2)c2ccccc2n3-c2ccc(CCCc3ccc(-c4nnc(-c5cc(CCCc6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc6)cc(-c6nnc(-c7ccc(CCCc8ccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)ccc%109)cc8)cc7)o6)c5)o4)cc3)cc2)C=C1.
What is the InChIKey of 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is VLSPQUAIIBPMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H79N7O2/c1-4-25-75(26-5-1)80-51-60-97-91(66-80)88-31-10-13-34-94(88)108(97)85-54-41-71(42-55-85)21-16-19-69-37-47-78(48-38-69)100-104-106-102(111-100)83-63-74(24-18-23-73-45-58-87(59-46-73)110-96-36-15-12-33-90(96)93-68-82(53-62-99(93)110)77-29-8-3-9-30-77)64-84(65-83)103-107-105-101(112-103)79-49-39-70(40-50-79)20-17-22-72-43-56-86(57-44-72)109-95-35-14-11-32-89(95)92-67-81(52-61-98(92)109)76-27-6-2-7-28-76/h1-15,25-27,29-68,76H,16-24,28H2.
What are the key properties of 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 1446.81 g/mol, XLogP of 25.87, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(3-cyclohexa-2,4-dien-1-ylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 89046537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).