N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C51H37NO — CID 177069590

IUPACN-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)c21
InChIInChI=1S/C51H37NO/c1-51(2)43-24-12-9-21-40(43)41-23-15-26-46(49(41)51)52(44-25-13-10-20-38(44)37-30-28-35(29-31-37)34-16-5-3-6-17-34)45-33-32-39(36-18-7-4-8-19-36)50-48(45)42-22-11-14-27-47(42)53-50/h3-33H,1-2H3
InChIKeyPDBRRYWOQOKAEE-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069590) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069590
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)c21
InChIInChI=1S/C51H37NO/c1-51(2)43-24-12-9-21-40(43)41-23-15-26-46(49(41)51)52(44-25-13-10-20-38(44)37-30-28-35(29-31-37)34-16-5-3-6-17-34)45-33-32-39(36-18-7-4-8-19-36)50-48(45)42-22-11-14-27-47(42)53-50/h3-33H,1-2H3
InChIKeyPDBRRYWOQOKAEE-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167285621
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313
N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 169223637
4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 176824569
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
CID 176583411
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
CID 177063669
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302488
2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine
CID 134195002

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069590) is N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is PDBRRYWOQOKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)43-24-12-9-21-40(43)41-23-15-26-46(49(41)51)52(44-25-13-10-20-38(44)37-30-28-35(29-31-37)34-16-5-3-6-17-34)45-33-32-39(36-18-7-4-8-19-36)50-48(45)42-22-11-14-27-47(42)53-50/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).