N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C49H35NO — CID 169039560

IUPACN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)44-29-27-36(30-43(44)48-40(19-11-20-45(48)49)33-12-4-3-5-13-33)50(37-26-28-42-41-17-8-9-21-46(41)51-47(42)31-37)35-24-22-34(23-25-35)39-18-10-15-32-14-6-7-16-38(32)39/h3-31H,1-2H3
InChIKeyCOEKBFPVAWMTGY-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 169039560) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID169039560
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)44-29-27-36(30-43(44)48-40(19-11-20-45(48)49)33-12-4-3-5-13-33)50(37-26-28-42-41-17-8-9-21-46(41)51-47(42)31-37)35-24-22-34(23-25-35)39-18-10-15-32-14-6-7-16-38(32)39/h3-31H,1-2H3
InChIKeyCOEKBFPVAWMTGY-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
CID 134392877
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 129256099
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 159257913
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 167182629
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 169039560) is N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is CC1(C)c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is COEKBFPVAWMTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)44-29-27-36(30-43(44)48-40(19-11-20-45(48)49)33-12-4-3-5-13-33)50(37-26-28-42-41-17-8-9-21-46(41)51-47(42)31-37)35-24-22-34(23-25-35)39-18-10-15-32-14-6-7-16-38(32)39/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169039560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).