N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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

C58H35NO3 — CID 160719576

IUPACN-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3c(-c5ccc6ccccc6c5)c5c(cc34)oc3ccccc35)cc2)cc1
InChIInChI=1S/C58H35NO3/c1-2-12-36(13-3-1)38-26-30-42(31-27-38)59(43-32-28-39(29-33-43)44-18-10-19-46-45-16-6-8-22-51(45)61-56(44)46)50-21-11-20-47-49-35-53-55(48-17-7-9-23-52(48)60-53)54(58(49)62-57(47)50)41-25-24-37-14-4-5-15-40(37)34-41/h1-35H
InChIKeyRSXQPZQVOAWHKC-UHFFFAOYSA-N
MW793.92 g/mol
LogP17.01
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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

N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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 (PubChem CID 160719576) has the molecular formula C58H35NO3 and a molecular weight of 793.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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
PubChem CID160719576
Molecular FormulaC58H35NO3
Molecular Weight793.92 g/mol
Exact Mass793.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3c(-c5ccc6ccccc6c5)c5c(cc34)oc3ccccc35)cc2)cc1
InChIInChI=1S/C58H35NO3/c1-2-12-36(13-3-1)38-26-30-42(31-27-38)59(43-32-28-39(29-33-43)44-18-10-19-46-45-16-6-8-22-51(45)61-56(44)46)50-21-11-20-47-49-35-53-55(48-17-7-9-23-52(48)60-53)54(58(49)62-57(47)50)41-25-24-37-14-4-5-15-40(37)34-41/h1-35H
InChIKeyRSXQPZQVOAWHKC-UHFFFAOYSA-N
XLogP17.01
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.92
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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 with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
12-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 160729458
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771989
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-dibenzofuran-4-yl-12-naphthalen-2-yl-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161006635
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325117
N-(4-dibenzofuran-1-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396921
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(3-phenylphenyl)-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 158326158

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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 160719576) is N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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 is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3c(-c5ccc6ccccc6c5)c5c(cc34)oc3ccccc35)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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?
The InChIKey is RSXQPZQVOAWHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO3/c1-2-12-36(13-3-1)38-26-30-42(31-27-38)59(43-32-28-39(29-33-43)44-18-10-19-46-45-16-6-8-22-51(45)61-56(44)46)50-21-11-20-47-49-35-53-55(48-17-7-9-23-52(48)60-53)54(58(49)62-57(47)50)41-25-24-37-14-4-5-15-40(37)34-41/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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?
N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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 has a molecular weight of 793.92 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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 is sourced from PubChem (CID 160719576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).