N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine

C50H33NO2 — CID 169022132

IUPACN-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(c2cccc3c2oc2cccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)c23)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H33NO2/c1-50(42-20-8-5-15-37(42)38-16-6-9-21-43(38)50)44-22-11-19-40-48-36(18-12-24-47(48)53-49(40)44)32-25-27-34(28-26-32)51(33-13-3-2-4-14-33)35-29-30-46-41(31-35)39-17-7-10-23-45(39)52-46/h2-31H,1H3
InChIKeyDBGDBDFYASHEID-UHFFFAOYSA-N
MW679.82 g/mol
LogP13.96
Rot. Bonds5

About N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine

N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 169022132) has the molecular formula C50H33NO2 and a molecular weight of 679.82 g/mol. Its IUPAC name is N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID169022132
Molecular FormulaC50H33NO2
Molecular Weight679.82 g/mol
Exact Mass679.25
IUPAC NameN-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(c2cccc3c2oc2cccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)c23)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H33NO2/c1-50(42-20-8-5-15-37(42)38-16-6-9-21-43(38)50)44-22-11-19-40-48-36(18-12-24-47(48)53-49(40)44)32-25-27-34(28-26-32)51(33-13-3-2-4-14-33)35-29-30-46-41(31-35)39-17-7-10-23-45(39)52-46/h2-31H,1H3
InChIKeyDBGDBDFYASHEID-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022414
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine
CID 169022480
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 171050049
4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022196
N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169021993
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022495
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166938977

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine (CID 169022132) is N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine is CC1(c2cccc3c2oc2cccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)c23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is DBGDBDFYASHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO2/c1-50(42-20-8-5-15-37(42)38-16-6-9-21-43(38)50)44-22-11-19-40-48-36(18-12-24-47(48)53-49(40)44)32-25-27-34(28-26-32)51(33-13-3-2-4-14-33)35-29-30-46-41(31-35)39-17-7-10-23-45(39)52-46/h2-31H,1H3.
What are the key properties of N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine?
N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 679.82 g/mol, XLogP of 13.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 169022132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).