N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine

C55H40N2O — CID 155423454

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(oc5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c54)c4ccccc34)cc21
InChIInChI=1S/C55H40N2O/c1-55(2)49-27-15-14-23-44(49)45-34-33-42(35-50(45)55)57(40-21-10-5-11-22-40)51-36-48-53-43(26-16-28-52(53)58-54(48)47-25-13-12-24-46(47)51)37-29-31-41(32-30-37)56(38-17-6-3-7-18-38)39-19-8-4-9-20-39/h3-36H,1-2H3
InChIKeyUOKHEDGIGYBALF-UHFFFAOYSA-N
MW744.94 g/mol
LogP15.65
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423454) has the molecular formula C55H40N2O and a molecular weight of 744.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423454
Molecular FormulaC55H40N2O
Molecular Weight744.94 g/mol
Exact Mass744.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(oc5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c54)c4ccccc34)cc21
InChIInChI=1S/C55H40N2O/c1-55(2)49-27-15-14-23-44(49)45-34-33-42(35-50(45)55)57(40-21-10-5-11-22-40)51-36-48-53-43(26-16-28-52(53)58-54(48)47-25-13-12-24-46(47)51)37-29-31-41(32-30-37)56(38-17-6-3-7-18-38)39-19-8-4-9-20-39/h3-36H,1-2H3
InChIKeyUOKHEDGIGYBALF-UHFFFAOYSA-N
XLogP15.65
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423967
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144415
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)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-8-amine
CID 171050118
N-[3-(7,10-diphenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253257
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402717
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (CID 155423454) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(oc5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c54)c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is UOKHEDGIGYBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2O/c1-55(2)49-27-15-14-23-44(49)45-34-33-42(35-50(45)55)57(40-21-10-5-11-22-40)51-36-48-53-43(26-16-28-52(53)58-54(48)47-25-13-12-24-46(47)51)37-29-31-41(32-30-37)56(38-17-6-3-7-18-38)39-19-8-4-9-20-39/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 744.94 g/mol, XLogP of 15.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).