10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

C68H48N2O4 — CID 155360937

IUPAC10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
SMILESCc1cc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4ccc5oc6cc(N(c7cc(C)c(C)c(C)c7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c5c4c3c3ccccc23)cc(C)c1C
InChIInChI=1S/C68H48N2O4/c1-37-29-45(30-38(2)41(37)5)69(43-23-25-59-53(33-43)49-17-11-13-21-57(49)71-59)55-35-63-65(51-19-9-7-15-47(51)55)67-61(73-63)27-28-62-68(67)66-52-20-10-8-16-48(52)56(36-64(66)74-62)70(46-31-39(3)42(6)40(4)32-46)44-24-26-60-54(34-44)50-18-12-14-22-58(50)72-60/h7-36H,1-6H3
InChIKeyCCRMTCJEPZIIFY-UHFFFAOYSA-N
MW957.14 g/mol
LogP20.38
Rot. Bonds6

About 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (PubChem CID 155360937) has the molecular formula C68H48N2O4 and a molecular weight of 957.14 g/mol. Its IUPAC name is 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.

Molecular Properties

Compound Name10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
PubChem CID155360937
Molecular FormulaC68H48N2O4
Molecular Weight957.14 g/mol
Exact Mass956.36
IUPAC Name10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
SMILESCc1cc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4ccc5oc6cc(N(c7cc(C)c(C)c(C)c7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c5c4c3c3ccccc23)cc(C)c1C
InChIInChI=1S/C68H48N2O4/c1-37-29-45(30-38(2)41(37)5)69(43-23-25-59-53(33-43)49-17-11-13-21-57(49)71-59)55-35-63-65(51-19-9-7-15-47(51)55)67-61(73-63)27-28-62-68(67)66-52-20-10-8-16-48(52)56(36-64(66)74-62)70(46-31-39(3)42(6)40(4)32-46)44-24-26-60-54(34-44)50-18-12-14-22-58(50)72-60/h7-36H,1-6H3
InChIKeyCCRMTCJEPZIIFY-UHFFFAOYSA-N
XLogP20.38
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.14
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine with MolForge

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Related Compounds

10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
CID 155644974
11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360854
10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155361809
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
1-N,6-N-di(dibenzofuran-2-yl)-3,8-dimethyl-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58461968
9-N,9-N,15-N,15-N-tetrakis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263218
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 88598763
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N,N-diphenyldibenzofuran-2-amine
CID 58038469
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526

Frequently Asked Questions

What is the IUPAC name of 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The IUPAC name of 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (CID 155360937) is 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.
What is the SMILES notation for 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The canonical SMILES for 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is Cc1cc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4ccc5oc6cc(N(c7cc(C)c(C)c(C)c7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c5c4c3c3ccccc23)cc(C)c1C.
What is the InChIKey of 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The InChIKey is CCRMTCJEPZIIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2O4/c1-37-29-45(30-38(2)41(37)5)69(43-23-25-59-53(33-43)49-17-11-13-21-57(49)71-59)55-35-63-65(51-19-9-7-15-47(51)55)67-61(73-63)27-28-62-68(67)66-52-20-10-8-16-48(52)56(36-64(66)74-62)70(46-31-39(3)42(6)40(4)32-46)44-24-26-60-54(34-44)50-18-12-14-22-58(50)72-60/h7-36H,1-6H3.
What are the key properties of 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine has a molecular weight of 957.14 g/mol, XLogP of 20.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is sourced from PubChem (CID 155360937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).