N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine

C56H40N2O2 — CID 167129830

IUPACN-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5C=CC=CC45)cc3)c3ccc(-c4ccc5c(c4)oc4cc6oc(-c7ccccc7)nc6cc45)cc3)cc21
InChIInChI=1S/C56H40N2O2/c1-56(2)49-18-9-8-16-45(49)46-30-28-42(32-50(46)56)58(41-26-21-37(22-27-41)44-17-10-14-36-11-6-7-15-43(36)44)40-24-19-35(20-25-40)39-23-29-47-48-33-51-54(34-53(48)59-52(47)31-39)60-55(57-51)38-12-4-3-5-13-38/h3-34,36,43H,1-2H3
InChIKeyQEOALMFMDKVJJS-UHFFFAOYSA-N
MW772.95 g/mol
LogP15.15
Rot. Bonds6

About N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine

N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine (PubChem CID 167129830) has the molecular formula C56H40N2O2 and a molecular weight of 772.95 g/mol. Its IUPAC name is N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
PubChem CID167129830
Molecular FormulaC56H40N2O2
Molecular Weight772.95 g/mol
Exact Mass772.31
IUPAC NameN-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5C=CC=CC45)cc3)c3ccc(-c4ccc5c(c4)oc4cc6oc(-c7ccccc7)nc6cc45)cc3)cc21
InChIInChI=1S/C56H40N2O2/c1-56(2)49-18-9-8-16-45(49)46-30-28-42(32-50(46)56)58(41-26-21-37(22-27-41)44-17-10-14-36-11-6-7-15-43(36)44)40-24-19-35(20-25-40)39-23-29-47-48-33-51-54(34-53(48)59-52(47)31-39)60-55(57-51)38-12-4-3-5-13-38/h3-34,36,43H,1-2H3
InChIKeyQEOALMFMDKVJJS-UHFFFAOYSA-N
XLogP15.15
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-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

9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 170776738
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
CID 167129831
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-3-amine
CID 167128906
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128961
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine
CID 167129231
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 167128842
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine
CID 167129878
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631

Frequently Asked Questions

What is the IUPAC name of N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine (CID 167129830) is N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CC5C=CC=CC45)cc3)c3ccc(-c4ccc5c(c4)oc4cc6oc(-c7ccccc7)nc6cc45)cc3)cc21.
What is the InChIKey of N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine?
The InChIKey is QEOALMFMDKVJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O2/c1-56(2)49-18-9-8-16-45(49)46-30-28-42(32-50(46)56)58(41-26-21-37(22-27-41)44-17-10-14-36-11-6-7-15-43(36)44)40-24-19-35(20-25-40)39-23-29-47-48-33-51-54(34-53(48)59-52(47)31-39)60-55(57-51)38-12-4-3-5-13-38/h3-34,36,43H,1-2H3.
What are the key properties of N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine?
N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine has a molecular weight of 772.95 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 167129830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).