9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine

C54H37NO — CID 174307624

IUPAC9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)cccc21
InChIInChI=1S/C54H37NO/c1-54(41-19-6-3-7-20-41)47-24-10-8-23-45(47)53-48(54)25-14-26-49(53)55(42-31-29-37(30-32-42)36-15-4-2-5-16-36)43-21-12-17-38(34-43)40-33-39-18-13-28-51-52(39)46(35-40)44-22-9-11-27-50(44)56-51/h2-35H,1H3
InChIKeyWRFPAKCIRNUIAH-UHFFFAOYSA-N
MW715.90 g/mol
LogP14.75
Rot. Bonds6

About 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine

9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 174307624) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID174307624
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)cccc21
InChIInChI=1S/C54H37NO/c1-54(41-19-6-3-7-20-41)47-24-10-8-23-45(47)53-48(54)25-14-26-49(53)55(42-31-29-37(30-32-42)36-15-4-2-5-16-36)43-21-12-17-38(34-43)40-33-39-18-13-28-51-52(39)46(35-40)44-22-9-11-27-50(44)56-51/h2-35H,1H3
InChIKeyWRFPAKCIRNUIAH-UHFFFAOYSA-N
XLogP14.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine with MolForge

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Related Compounds

9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 174307165
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 174303883
N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 139499016
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
CID 142614739
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)-N-phenylaniline
CID 174304052
9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020008
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine (CID 174307624) is 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)cccc21.
What is the InChIKey of 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is WRFPAKCIRNUIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-54(41-19-6-3-7-20-41)47-24-10-8-23-45(47)53-48(54)25-14-26-49(53)55(42-31-29-37(30-32-42)36-15-4-2-5-16-36)43-21-12-17-38(34-43)40-33-39-18-13-28-51-52(39)46(35-40)44-22-9-11-27-50(44)56-51/h2-35H,1H3.
What are the key properties of 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine?
9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 715.90 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 174307624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).