N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

C55H39NO — CID 176844315

IUPACN-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c(-c6ccccc6)cc6ccccc6c5c34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C55H39NO/c1-55(2)47-25-14-24-43(38-18-8-4-9-19-38)51(47)45-33-32-42(35-48(45)55)56(41-30-28-37(29-31-41)36-16-6-3-7-17-36)49-26-15-27-50-53(49)52-44-23-13-12-22-40(44)34-46(54(52)57-50)39-20-10-5-11-21-39/h3-35H,1-2H3
InChIKeyYVKRTEQSXXQCPV-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

About N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 176844315) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID176844315
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c(-c6ccccc6)cc6ccccc6c5c34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C55H39NO/c1-55(2)47-25-14-24-43(38-18-8-4-9-19-38)51(47)45-33-32-42(35-48(45)55)56(41-30-28-37(29-31-41)36-16-6-3-7-17-36)49-26-15-27-50-53(49)52-44-23-13-12-22-40(44)34-46(54(52)57-50)39-20-10-5-11-21-39/h3-35H,1-2H3
InChIKeyYVKRTEQSXXQCPV-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320632
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320773
N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320690
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320689
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]fluoren-2-amine
CID 169060883
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (CID 176844315) is N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c(-c6ccccc6)cc6ccccc6c5c34)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is YVKRTEQSXXQCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)47-25-14-24-43(38-18-8-4-9-19-38)51(47)45-33-32-42(35-48(45)55)56(41-30-28-37(29-31-41)36-16-6-3-7-17-36)49-26-15-27-50-53(49)52-44-23-13-12-22-40(44)34-46(54(52)57-50)39-20-10-5-11-21-39/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 729.92 g/mol, XLogP of 15.52, 6 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-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 176844315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).