N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine

C54H37NO — CID 169293004

IUPACN-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESCC1(c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H37NO/c1-54(48-21-9-4-16-42(48)43-17-5-10-22-49(43)54)50-23-11-6-18-44(50)45-19-7-12-24-51(45)55(41-32-33-53-47(35-41)46-20-8-13-25-52(46)56-53)40-30-28-37(29-31-40)39-27-26-36-14-2-3-15-38(36)34-39/h2-35H,1H3
InChIKeyHMQXLJWXQRDTBJ-UHFFFAOYSA-N
MW715.90 g/mol
LogP14.88
Rot. Bonds6

About N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine

N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine (PubChem CID 169293004) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
PubChem CID169293004
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC NameN-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESCC1(c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H37NO/c1-54(48-21-9-4-16-42(48)43-17-5-10-22-49(43)54)50-23-11-6-18-44(50)45-19-7-12-24-51(45)55(41-32-33-53-47(35-41)46-20-8-13-25-52(46)56-53)40-30-28-37(29-31-40)39-27-26-36-14-2-3-15-38(36)34-39/h2-35H,1H3
InChIKeyHMQXLJWXQRDTBJ-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324670
N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]fluoren-2-amine
CID 167121566
8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 163982454
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
CID 164764763
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 176583116
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine (CID 169293004) is N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine is CC1(c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The InChIKey is HMQXLJWXQRDTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-54(48-21-9-4-16-42(48)43-17-5-10-22-49(43)54)50-23-11-6-18-44(50)45-19-7-12-24-51(45)55(41-32-33-53-47(35-41)46-20-8-13-25-52(46)56-53)40-30-28-37(29-31-40)39-27-26-36-14-2-3-15-38(36)34-39/h2-35H,1H3.
What are the key properties of N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine has a molecular weight of 715.90 g/mol, XLogP of 14.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 169293004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).