19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene

C47H30N4O2 — CID 177085741

IUPAC19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c(oc6ccc7nc(-c8ccccc8)oc7c65)c5ccccc45)n3)c21
InChIInChI=1S/C47H30N4O2/c1-47(2)36-23-12-11-19-30(36)31-21-13-22-33(40(31)47)44-49-43(27-14-5-3-6-15-27)50-45(51-44)34-26-35-39-38(52-41(35)32-20-10-9-18-29(32)34)25-24-37-42(39)53-46(48-37)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyUEPFJHVATKJHEU-UHFFFAOYSA-N
MW682.78 g/mol
LogP12.04
Rot. Bonds4

About 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene

19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene (PubChem CID 177085741) has the molecular formula C47H30N4O2 and a molecular weight of 682.78 g/mol. Its IUPAC name is 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
PubChem CID177085741
Molecular FormulaC47H30N4O2
Molecular Weight682.78 g/mol
Exact Mass682.24
IUPAC Name19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c(oc6ccc7nc(-c8ccccc8)oc7c65)c5ccccc45)n3)c21
InChIInChI=1S/C47H30N4O2/c1-47(2)36-23-12-11-19-30(36)31-21-13-22-33(40(31)47)44-49-43(27-14-5-3-6-15-27)50-45(51-44)34-26-35-39-38(52-41(35)32-20-10-9-18-29(32)34)25-24-37-42(39)53-46(48-37)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyUEPFJHVATKJHEU-UHFFFAOYSA-N
XLogP12.04
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.78
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene with MolForge

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Related Compounds

5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 177085976
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174288773
9-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764324
18-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenyl-4,14-dioxa-6-azapentacyclo[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 176647248
18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-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 177086329
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
18-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-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 176631370
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764192
2-(9,9-dimethylfluoren-1-yl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 171050760
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481

Frequently Asked Questions

What is the IUPAC name of 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
The IUPAC name of 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene (CID 177085741) is 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene.
What is the SMILES notation for 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
The canonical SMILES for 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c(oc6ccc7nc(-c8ccccc8)oc7c65)c5ccccc45)n3)c21.
What is the InChIKey of 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
The InChIKey is UEPFJHVATKJHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O2/c1-47(2)36-23-12-11-19-30(36)31-21-13-22-33(40(31)47)44-49-43(27-14-5-3-6-15-27)50-45(51-44)34-26-35-39-38(52-41(35)32-20-10-9-18-29(32)34)25-24-37-42(39)53-46(48-37)28-16-7-4-8-17-28/h3-26H,1-2H3.
What are the key properties of 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene has a molecular weight of 682.78 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene is sourced from PubChem (CID 177085741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).