2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole

C56H36N2O — CID 142298257

IUPAC2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccc6oc(-c7ccccc7)nc6c5)ccc43)c2)cc1
InChIInChI=1S/C56H36N2O/c1-4-15-37(16-5-1)39-19-14-22-44(33-39)58-52-26-13-11-24-46(52)48-35-41(28-31-53(48)58)40-27-30-50-47(34-40)45-23-10-12-25-49(45)56(50,42-20-8-3-9-21-42)43-29-32-54-51(36-43)57-55(59-54)38-17-6-2-7-18-38/h1-36H
InChIKeyRACZTUAVSAVRRJ-UHFFFAOYSA-N
MW752.92 g/mol
LogP14.29
Rot. Bonds6

About 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole

2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole (PubChem CID 142298257) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole
PubChem CID142298257
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccc6oc(-c7ccccc7)nc6c5)ccc43)c2)cc1
InChIInChI=1S/C56H36N2O/c1-4-15-37(16-5-1)39-19-14-22-44(33-39)58-52-26-13-11-24-46(52)48-35-41(28-31-53(48)58)40-27-30-50-47(34-40)45-23-10-12-25-49(45)56(50,42-20-8-3-9-21-42)43-29-32-54-51(36-43)57-55(59-54)38-17-6-2-7-18-38/h1-36H
InChIKeyRACZTUAVSAVRRJ-UHFFFAOYSA-N
XLogP14.29
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590406
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 160904647
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole (CID 142298257) is 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccc6oc(-c7ccccc7)nc6c5)ccc43)c2)cc1.
What is the InChIKey of 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole?
The InChIKey is RACZTUAVSAVRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-4-15-37(16-5-1)39-19-14-22-44(33-39)58-52-26-13-11-24-46(52)48-35-41(28-31-53(48)58)40-27-30-50-47(34-40)45-23-10-12-25-49(45)56(50,42-20-8-3-9-21-42)43-29-32-54-51(36-43)57-55(59-54)38-17-6-2-7-18-38/h1-36H.
What are the key properties of 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole?
2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole has a molecular weight of 752.92 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole is sourced from PubChem (CID 142298257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).