N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C61H41NO2 — CID 167144415

IUPACN-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)oc3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc43)cc21
InChIInChI=1S/C61H41NO2/c1-61(2)53-20-10-8-15-46(53)47-33-27-41(35-54(47)61)42-28-34-49-52-37-55(48-16-6-7-17-50(48)60(52)64-58(49)36-42)62(43-29-23-39(24-30-43)38-13-4-3-5-14-38)44-31-25-40(26-32-44)45-19-12-22-57-59(45)51-18-9-11-21-56(51)63-57/h3-37H,1-2H3
InChIKeyZIDSIUXUJNBOQJ-UHFFFAOYSA-N
MW820.00 g/mol
LogP17.42
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 167144415) has the molecular formula C61H41NO2 and a molecular weight of 820.00 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID167144415
Molecular FormulaC61H41NO2
Molecular Weight820.00 g/mol
Exact Mass819.31
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)oc3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc43)cc21
InChIInChI=1S/C61H41NO2/c1-61(2)53-20-10-8-15-46(53)47-33-27-41(35-54(47)61)42-28-34-49-52-37-55(48-16-6-7-17-50(48)60(52)64-58(49)36-42)62(43-29-23-39(24-30-43)38-13-4-3-5-14-38)44-31-25-40(26-32-44)45-19-12-22-57-59(45)51-18-9-11-21-56(51)63-57/h3-37H,1-2H3
InChIKeyZIDSIUXUJNBOQJ-UHFFFAOYSA-N
XLogP17.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.00
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423454
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423967
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
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-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167402082
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158397284

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 167144415) is N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)oc3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc43)cc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is ZIDSIUXUJNBOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO2/c1-61(2)53-20-10-8-15-46(53)47-33-27-41(35-54(47)61)42-28-34-49-52-37-55(48-16-6-7-17-50(48)60(52)64-58(49)36-42)62(43-29-23-39(24-30-43)38-13-4-3-5-14-38)44-31-25-40(26-32-44)45-19-12-22-57-59(45)51-18-9-11-21-56(51)63-57/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 820.00 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 167144415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).