9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole

C48H29N5O — CID 176764453

IUPAC9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4cccc(-c5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6cccc7ccccc67)n5)c4c3o2)cc1
InChIInChI=1S/C48H29N5O/c1-3-14-32(15-4-1)48-49-40-27-25-31-17-12-23-38(43(31)44(40)54-48)47-51-45(50-46(52-47)37-22-11-16-30-13-7-8-20-35(30)37)33-26-28-42-39(29-33)36-21-9-10-24-41(36)53(42)34-18-5-2-6-19-34/h1-29H
InChIKeyMLPRIZYFSXQUJN-UHFFFAOYSA-N
MW691.79 g/mol
LogP12.08
Rot. Bonds5

About 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole

9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 176764453) has the molecular formula C48H29N5O and a molecular weight of 691.79 g/mol. Its IUPAC name is 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID176764453
Molecular FormulaC48H29N5O
Molecular Weight691.79 g/mol
Exact Mass691.24
IUPAC Name9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4cccc(-c5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6cccc7ccccc67)n5)c4c3o2)cc1
InChIInChI=1S/C48H29N5O/c1-3-14-32(15-4-1)48-49-40-27-25-31-17-12-23-38(43(31)44(40)54-48)47-51-45(50-46(52-47)37-22-11-16-30-13-7-8-20-35(30)37)33-26-28-42-39(29-33)36-21-9-10-24-41(36)53(42)34-18-5-2-6-19-34/h1-29H
InChIKeyMLPRIZYFSXQUJN-UHFFFAOYSA-N
XLogP12.08
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

18-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631266
18-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-11-thia-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085695
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
9-[2-(4-naphthalen-1-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764233
3-(4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146658073
9-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
CID 176764314
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647004
16-[4-(4-carbazol-9-ylphenyl)-6-naphthalen-1-ylpyrimidin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085743
2-phenyl-7-[4-[3-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170681673
9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764556
2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 170681615

Frequently Asked Questions

What is the IUPAC name of 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole (CID 176764453) is 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc3ccc4cccc(-c5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6cccc7ccccc67)n5)c4c3o2)cc1.
What is the InChIKey of 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is MLPRIZYFSXQUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O/c1-3-14-32(15-4-1)48-49-40-27-25-31-17-12-23-38(43(31)44(40)54-48)47-51-45(50-46(52-47)37-22-11-16-30-13-7-8-20-35(30)37)33-26-28-42-39(29-33)36-21-9-10-24-41(36)53(42)34-18-5-2-6-19-34/h1-29H.
What are the key properties of 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?
9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 691.79 g/mol, XLogP of 12.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).