6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole

C52H32N6O — CID 144788195

IUPAC6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6cccc7c6[nH]c6ccccc67)cc5c5cc6oc(-c7ccccc7)nc6cc54)cc3)n2)cc1
InChIInChI=1S/C52H32N6O/c1-4-13-32(14-5-1)49-55-50(33-15-6-2-7-16-33)57-51(56-49)34-23-26-37(27-24-34)58-45-28-25-36(38-20-12-21-40-39-19-10-11-22-43(39)53-48(38)40)29-41(45)42-30-47-44(31-46(42)58)54-52(59-47)35-17-8-3-9-18-35/h1-31,53H
InChIKeyXMSRWTPTCNHEFY-UHFFFAOYSA-N
MW756.87 g/mol
LogP13.08
Rot. Bonds6

About 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole

6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole (PubChem CID 144788195) has the molecular formula C52H32N6O and a molecular weight of 756.87 g/mol. Its IUPAC name is 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole.

Molecular Properties

Compound Name6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole
PubChem CID144788195
Molecular FormulaC52H32N6O
Molecular Weight756.87 g/mol
Exact Mass756.26
IUPAC Name6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6cccc7c6[nH]c6ccccc67)cc5c5cc6oc(-c7ccccc7)nc6cc54)cc3)n2)cc1
InChIInChI=1S/C52H32N6O/c1-4-13-32(14-5-1)49-55-50(33-15-6-2-7-16-33)57-51(56-49)34-23-26-37(27-24-34)58-45-28-25-36(38-20-12-21-40-39-19-10-11-22-43(39)53-48(38)40)29-41(45)42-30-47-44(31-46(42)58)54-52(59-47)35-17-8-3-9-18-35/h1-31,53H
InChIKeyXMSRWTPTCNHEFY-UHFFFAOYSA-N
XLogP13.08
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 513.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 90201671
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138599601
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
5-[3-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzoxazol-2-yl]phenyl]carbazol-9-yl]-2-phenyl-1,3-benzoxazole
CID 168832535
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212

Frequently Asked Questions

What is the IUPAC name of 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole?
The IUPAC name of 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole (CID 144788195) is 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole.
What is the SMILES notation for 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole?
The canonical SMILES for 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6cccc7c6[nH]c6ccccc67)cc5c5cc6oc(-c7ccccc7)nc6cc54)cc3)n2)cc1.
What is the InChIKey of 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole?
The InChIKey is XMSRWTPTCNHEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O/c1-4-13-32(14-5-1)49-55-50(33-15-6-2-7-16-33)57-51(56-49)34-23-26-37(27-24-34)58-45-28-25-36(38-20-12-21-40-39-19-10-11-22-43(39)53-48(38)40)29-41(45)42-30-47-44(31-46(42)58)54-52(59-47)35-17-8-3-9-18-35/h1-31,53H.
What are the key properties of 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole?
6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole has a molecular weight of 756.87 g/mol, XLogP of 13.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-carbazol-1-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-b]carbazole is sourced from PubChem (CID 144788195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).