7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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

C70H42N2O4 — CID 134560112

IUPAC7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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
SMILESc1ccc(N(c2ccc3cc(-c4cc5ccccc5o4)ccc3c2)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccccc7)c7ccc8cc(-c9cc%10ccccc%10o9)ccc8c7)ccc6c5cc4cc23)cc1
InChIInChI=1S/C70H42N2O4/c1-3-13-53(14-4-1)71(55-25-23-43-31-49(21-19-45(43)33-55)65-37-47-11-7-9-17-63(47)73-65)57-27-29-59-61-35-51-36-62-60-30-28-58(42-70(60)76-68(62)40-52(51)39-67(61)75-69(59)41-57)72(54-15-5-2-6-16-54)56-26-24-44-32-50(22-20-46(44)34-56)66-38-48-12-8-10-18-64(48)74-66/h1-42H
InChIKeyKSVJLVIEUOIYDB-UHFFFAOYSA-N
MW975.12 g/mol
LogP20.71
Rot. Bonds8

About 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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

7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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 (PubChem CID 134560112) has the molecular formula C70H42N2O4 and a molecular weight of 975.12 g/mol. Its IUPAC name is 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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.

Molecular Properties

Compound Name7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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
PubChem CID134560112
Molecular FormulaC70H42N2O4
Molecular Weight975.12 g/mol
Exact Mass974.31
IUPAC Name7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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
SMILESc1ccc(N(c2ccc3cc(-c4cc5ccccc5o4)ccc3c2)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccccc7)c7ccc8cc(-c9cc%10ccccc%10o9)ccc8c7)ccc6c5cc4cc23)cc1
InChIInChI=1S/C70H42N2O4/c1-3-13-53(14-4-1)71(55-25-23-43-31-49(21-19-45(43)33-55)65-37-47-11-7-9-17-63(47)73-65)57-27-29-59-61-35-51-36-62-60-30-28-58(42-70(60)76-68(62)40-52(51)39-67(61)75-69(59)41-57)72(54-15-5-2-6-16-54)56-26-24-44-32-50(22-20-46(44)34-56)66-38-48-12-8-10-18-64(48)74-66/h1-42H
InChIKeyKSVJLVIEUOIYDB-UHFFFAOYSA-N
XLogP20.71
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.12
LogP ≤ 520.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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 with MolForge

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Related Compounds

8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 89295907
N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616726
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 170400610
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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?
The IUPAC name of 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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 134560112) is 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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.
What is the SMILES notation for 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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?
The canonical SMILES for 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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 is c1ccc(N(c2ccc3cc(-c4cc5ccccc5o4)ccc3c2)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccccc7)c7ccc8cc(-c9cc%10ccccc%10o9)ccc8c7)ccc6c5cc4cc23)cc1.
What is the InChIKey of 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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?
The InChIKey is KSVJLVIEUOIYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2O4/c1-3-13-53(14-4-1)71(55-25-23-43-31-49(21-19-45(43)33-55)65-37-47-11-7-9-17-63(47)73-65)57-27-29-59-61-35-51-36-62-60-30-28-58(42-70(60)76-68(62)40-52(51)39-67(61)75-69(59)41-57)72(54-15-5-2-6-16-54)56-26-24-44-32-50(22-20-46(44)34-56)66-38-48-12-8-10-18-64(48)74-66/h1-42H.
What are the key properties of 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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?
7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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 has a molecular weight of 975.12 g/mol, XLogP of 20.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-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 is sourced from PubChem (CID 134560112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).