6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole

C51H32N2O — CID 130440836

IUPAC6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc6nc(-c7ccc8ncccc8c7)oc6c5)c5ccccc45)cc32)cc1
InChIInChI=1S/C51H32N2O/c1-3-13-37(14-4-1)51(38-15-5-2-6-16-38)45-20-10-9-19-43(45)44-24-21-33(31-46(44)51)39-25-26-40(42-18-8-7-17-41(39)42)34-22-28-48-49(32-34)54-50(53-48)36-23-27-47-35(30-36)12-11-29-52-47/h1-32H
InChIKeyQCMMIHLGKHTFTL-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.89
Rot. Bonds5

About 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole

6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole (PubChem CID 130440836) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole
PubChem CID130440836
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc6nc(-c7ccc8ncccc8c7)oc6c5)c5ccccc45)cc32)cc1
InChIInChI=1S/C51H32N2O/c1-3-13-37(14-4-1)51(38-15-5-2-6-16-38)45-20-10-9-19-43(45)44-24-21-33(31-46(44)51)39-25-26-40(42-18-8-7-17-41(39)42)34-22-28-48-49(32-34)54-50(53-48)36-23-27-47-35(30-36)12-11-29-52-47/h1-32H
InChIKeyQCMMIHLGKHTFTL-UHFFFAOYSA-N
XLogP12.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 151110061
2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole
CID 146581616
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731450
10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161168779
2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
CID 142453620
2-(4-chlorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 138606986
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448
N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
CID 168731622
N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731706
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572
6-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146582036

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole?
The IUPAC name of 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole (CID 130440836) is 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole.
What is the SMILES notation for 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole?
The canonical SMILES for 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc6nc(-c7ccc8ncccc8c7)oc6c5)c5ccccc45)cc32)cc1.
What is the InChIKey of 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole?
The InChIKey is QCMMIHLGKHTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-13-37(14-4-1)51(38-15-5-2-6-16-38)45-20-10-9-19-43(45)44-24-21-33(31-46(44)51)39-25-26-40(42-18-8-7-17-41(39)42)34-22-28-48-49(32-34)54-50(53-48)36-23-27-47-35(30-36)12-11-29-52-47/h1-32H.
What are the key properties of 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole?
6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole has a molecular weight of 688.83 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-quinolin-6-yl-1,3-benzoxazole is sourced from PubChem (CID 130440836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).