7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole

C95H68N4O2 — CID 91154591

IUPAC7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESCC=CC=CCn1c2ccccc2c2cc(-c3ccccc3-c3ccccc3-c3ccc(-c4nc5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccc9-c9ccc(-c%10nc%11cc(-c%12ccccc%12C)ccc%11o%10)cc9)ccc87)c6)c(CC)c5o4)cc3)ccc21
InChIInChI=1S/C95H68N4O2/c1-4-6-7-22-56-98-88-38-20-18-36-82(88)84-58-67(48-53-89(84)98)75-30-12-16-34-80(75)78-32-14-11-29-74(78)63-42-46-65(47-43-63)95-96-86-52-51-77(71(5-2)93(86)101-95)66-25-23-26-70(57-66)99-90-39-21-19-37-83(90)85-59-68(49-54-91(85)99)76-31-13-17-35-81(76)79-33-15-10-28-73(79)62-40-44-64(45-41-62)94-97-87-60-69(50-55-92(87)100-94)72-27-9-8-24-61(72)3/h4,6-55,57-60H,5,56H2,1-3H3
InChIKeyKVPONOMBMKANTL-UHFFFAOYSA-N
MW1297.61 g/mol
LogP25.85
Rot. Bonds15

About 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole

7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole (PubChem CID 91154591) has the molecular formula C95H68N4O2 and a molecular weight of 1297.61 g/mol. Its IUPAC name is 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole
PubChem CID91154591
Molecular FormulaC95H68N4O2
Molecular Weight1297.61 g/mol
Exact Mass1296.53
IUPAC Name7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESCC=CC=CCn1c2ccccc2c2cc(-c3ccccc3-c3ccccc3-c3ccc(-c4nc5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccc9-c9ccc(-c%10nc%11cc(-c%12ccccc%12C)ccc%11o%10)cc9)ccc87)c6)c(CC)c5o4)cc3)ccc21
InChIInChI=1S/C95H68N4O2/c1-4-6-7-22-56-98-88-38-20-18-36-82(88)84-58-67(48-53-89(84)98)75-30-12-16-34-80(75)78-32-14-11-29-74(78)63-42-46-65(47-43-63)95-96-86-52-51-77(71(5-2)93(86)101-95)66-25-23-26-70(57-66)99-90-39-21-19-37-83(90)85-59-68(49-54-91(85)99)76-31-13-17-35-81(76)79-33-15-10-28-73(79)62-40-44-64(45-41-62)94-97-87-60-69(50-55-92(87)100-94)72-27-9-8-24-61(72)3/h4,6-55,57-60H,5,56H2,1-3H3
InChIKeyKVPONOMBMKANTL-UHFFFAOYSA-N
XLogP25.85
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.61
LogP ≤ 525.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fluorescent brightener 367
CID 78769
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588
4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-benzooxazol-5-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380488
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-benzooxazol-6-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380537
(2E)-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-phenyl-1,3-benzoxazole
CID 6768103
2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole
CID 111052
CID 10864994
CID 10864994
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]ethynyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 76314762
(2R)-2-(dimethylamino)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]ethynyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 76318352
2-phenyl-1-[(2S)-2-[6-[2-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]ethynyl]-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 76332883
Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, bromide (1:1)
CID 119821

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole (CID 91154591) is 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole is CC=CC=CCn1c2ccccc2c2cc(-c3ccccc3-c3ccccc3-c3ccc(-c4nc5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccc9-c9ccc(-c%10nc%11cc(-c%12ccccc%12C)ccc%11o%10)cc9)ccc87)c6)c(CC)c5o4)cc3)ccc21.
What is the InChIKey of 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole?
The InChIKey is KVPONOMBMKANTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H68N4O2/c1-4-6-7-22-56-98-88-38-20-18-36-82(88)84-58-67(48-53-89(84)98)75-30-12-16-34-80(75)78-32-14-11-29-74(78)63-42-46-65(47-43-63)95-96-86-52-51-77(71(5-2)93(86)101-95)66-25-23-26-70(57-66)99-90-39-21-19-37-83(90)85-59-68(49-54-91(85)99)76-31-13-17-35-81(76)79-33-15-10-28-73(79)62-40-44-64(45-41-62)94-97-87-60-69(50-55-92(87)100-94)72-27-9-8-24-61(72)3/h4,6-55,57-60H,5,56H2,1-3H3.
What are the key properties of 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole?
7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole has a molecular weight of 1297.61 g/mol, XLogP of 25.85, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[4-[2-[2-(9-hexa-2,4-dienylcarbazol-3-yl)phenyl]phenyl]phenyl]-6-[3-[3-[2-[2-[4-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]carbazol-9-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 91154591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).