2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole

C44H27N5O — CID 156661248

IUPAC2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7o6)cc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C44H27N5O/c1-2-11-29(12-3-1)41-46-42(48-43(47-41)32-19-18-28-10-4-5-13-31(28)26-32)30-20-23-34(24-21-30)49-38-16-8-6-14-35(38)36-25-22-33(27-39(36)49)44-45-37-15-7-9-17-40(37)50-44/h1-27H
InChIKeyXREYEKNDEPCEOU-UHFFFAOYSA-N
MW641.73 g/mol
LogP10.93
Rot. Bonds5

About 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole

2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 156661248) has the molecular formula C44H27N5O and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
PubChem CID156661248
Molecular FormulaC44H27N5O
Molecular Weight641.73 g/mol
Exact Mass641.22
IUPAC Name2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7o6)cc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C44H27N5O/c1-2-11-29(12-3-1)41-46-42(48-43(47-41)32-19-18-28-10-4-5-13-31(28)26-32)30-20-23-34(24-21-30)49-38-16-8-6-14-35(38)36-25-22-33(27-39(36)49)44-45-37-15-7-9-17-40(37)50-44/h1-27H
InChIKeyXREYEKNDEPCEOU-UHFFFAOYSA-N
XLogP10.93
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[6-[4-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)naphthalen-2-yl]-6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[6-[4-(6-benzo[c]carbazol-7-ylnaphthalen-2-yl)-6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[4-[4-(6-benzo[c]carbazol-7-ylnaphthalen-2-yl)-6-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 159183156
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(3-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 159394481
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
CID 163761982

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole (CID 156661248) is 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7o6)cc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is XREYEKNDEPCEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5O/c1-2-11-29(12-3-1)41-46-42(48-43(47-41)32-19-18-28-10-4-5-13-31(28)26-32)30-20-23-34(24-21-30)49-38-16-8-6-14-35(38)36-25-22-33(27-39(36)49)44-45-37-15-7-9-17-40(37)50-44/h1-27H.
What are the key properties of 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole?
2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 641.73 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 156661248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).