N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine

C52H36N4O — CID 167424189

IUPACN-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C52H36N4O/c1-52(2)43-25-15-14-24-40(43)41-28-27-37(31-44(41)52)56(36-21-10-5-11-22-36)38-30-42(48-46(32-38)57-45-29-26-33-16-12-13-23-39(33)47(45)48)51-54-49(34-17-6-3-7-18-34)53-50(55-51)35-19-8-4-9-20-35/h3-32H,1-2H3
InChIKeyGAOSRQJBCVFDQH-UHFFFAOYSA-N
MW732.89 g/mol
LogP13.70
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine

N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 167424189) has the molecular formula C52H36N4O and a molecular weight of 732.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
PubChem CID167424189
Molecular FormulaC52H36N4O
Molecular Weight732.89 g/mol
Exact Mass732.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C52H36N4O/c1-52(2)43-25-15-14-24-40(43)41-28-27-37(31-44(41)52)56(36-21-10-5-11-22-36)38-30-42(48-46(32-38)57-45-29-26-33-16-12-13-23-39(33)47(45)48)51-54-49(34-17-6-3-7-18-34)53-50(55-51)35-19-8-4-9-20-35/h3-32H,1-2H3
InChIKeyGAOSRQJBCVFDQH-UHFFFAOYSA-N
XLogP13.70
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.89
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674899
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727116
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 163785140
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176817623
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170675083
N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433107
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2,4,6-tris(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 161179044
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 176808413

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine (CID 167424189) is N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is GAOSRQJBCVFDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4O/c1-52(2)43-25-15-14-24-40(43)41-28-27-37(31-44(41)52)56(36-21-10-5-11-22-36)38-30-42(48-46(32-38)57-45-29-26-33-16-12-13-23-39(33)47(45)48)51-54-49(34-17-6-3-7-18-34)53-50(55-51)35-19-8-4-9-20-35/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 732.89 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 167424189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).