N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine

C62H38N2OS — CID 126718341

IUPACN-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-n2c3ccc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)c4)cc3c3cc4c(ccc5sc6ccccc6c54)cc32)cc1
InChIInChI=1S/C62H38N2OS/c1-2-15-44(16-3-1)64-56-32-26-42(35-54(56)55-38-53-43(36-57(55)64)27-33-61-62(53)52-20-7-9-23-60(52)66-61)41-14-10-17-46(34-41)63(47-30-31-51-50-19-6-8-22-58(50)65-59(51)37-47)45-28-24-40(25-29-45)49-21-11-13-39-12-4-5-18-48(39)49/h1-38H
InChIKeyGEATWQVWOOSHIE-UHFFFAOYSA-N
MW859.07 g/mol
LogP18.16
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine

N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine (PubChem CID 126718341) has the molecular formula C62H38N2OS and a molecular weight of 859.07 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine
PubChem CID126718341
Molecular FormulaC62H38N2OS
Molecular Weight859.07 g/mol
Exact Mass858.27
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-n2c3ccc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)c4)cc3c3cc4c(ccc5sc6ccccc6c54)cc32)cc1
InChIInChI=1S/C62H38N2OS/c1-2-15-44(16-3-1)64-56-32-26-42(35-54(56)55-38-53-43(36-57(55)64)27-33-61-62(53)52-20-7-9-23-60(52)66-61)41-14-10-17-46(34-41)63(47-30-31-51-50-19-6-8-22-58(50)65-59(51)37-47)45-28-24-40(25-29-45)49-21-11-13-39-12-4-5-18-48(39)49/h1-38H
InChIKeyGEATWQVWOOSHIE-UHFFFAOYSA-N
XLogP18.16
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.07
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-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-phenyl-N-[3-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
CID 126621599
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814676
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796
N-naphthalen-1-yl-8-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine
CID 158069740
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 167179628
N,9-diphenyl-N-[3-(9-phenyl-16-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine
CID 140905639
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine (CID 126718341) is N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine is c1ccc(-n2c3ccc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)c4)cc3c3cc4c(ccc5sc6ccccc6c54)cc32)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is GEATWQVWOOSHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2OS/c1-2-15-44(16-3-1)64-56-32-26-42(35-54(56)55-38-53-43(36-57(55)64)27-33-61-62(53)52-20-7-9-23-60(52)66-61)41-14-10-17-46(34-41)63(47-30-31-51-50-19-6-8-22-58(50)65-59(51)37-47)45-28-24-40(25-29-45)49-21-11-13-39-12-4-5-18-48(39)49/h1-38H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine?
N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 859.07 g/mol, XLogP of 18.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[3-(16-phenyl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 126718341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).