N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C56H33NO3 — CID 153300641

IUPACN-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccc8oc9ccccc9c8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C56H33NO3/c1-2-11-41-34(9-1)10-7-14-42(41)35-19-25-38(26-20-35)57(40-29-30-45-44-12-3-5-17-48(44)59-52(45)33-40)39-27-21-36(22-28-39)43-15-8-16-47-55-51(60-56(43)47)32-24-37-23-31-50-54(53(37)55)46-13-4-6-18-49(46)58-50/h1-33H
InChIKeyQIPCXKZQLPQASQ-UHFFFAOYSA-N
MW767.88 g/mol
LogP16.50
Rot. Bonds5

About N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 153300641) has the molecular formula C56H33NO3 and a molecular weight of 767.88 g/mol. Its IUPAC name is N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID153300641
Molecular FormulaC56H33NO3
Molecular Weight767.88 g/mol
Exact Mass767.25
IUPAC NameN-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccc8oc9ccccc9c8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C56H33NO3/c1-2-11-41-34(9-1)10-7-14-42(41)35-19-25-38(26-20-35)57(40-29-30-45-44-12-3-5-17-48(44)59-52(45)33-40)39-27-21-36(22-28-39)43-15-8-16-47-55-51(60-56(43)47)32-24-37-23-31-50-54(53(37)55)46-13-4-6-18-49(46)58-50/h1-33H
InChIKeyQIPCXKZQLPQASQ-UHFFFAOYSA-N
XLogP16.50
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.88
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300583
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
CID 170033287
N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807244
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzofuran-3-amine
CID 170032027
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738699
4-dibenzofuran-2-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(4-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 159634624
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 153300641) is N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccc8oc9ccccc9c8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cccc2c1.
What is the InChIKey of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is QIPCXKZQLPQASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NO3/c1-2-11-41-34(9-1)10-7-14-42(41)35-19-25-38(26-20-35)57(40-29-30-45-44-12-3-5-17-48(44)59-52(45)33-40)39-27-21-36(22-28-39)43-15-8-16-47-55-51(60-56(43)47)32-24-37-23-31-50-54(53(37)55)46-13-4-6-18-49(46)58-50/h1-33H.
What are the key properties of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 767.88 g/mol, XLogP of 16.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 153300641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).