14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine

C67H57N3O — CID 138745365

IUPAC14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine

SMILESCc1ccc2c(oc3c(-c4ccccc4)cccc32)c1N(c1ccccc1)c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21

InChIInChI=1S/C67H57N3O/c1-38-24-27-48-47-23-17-22-45(39-18-13-11-14-19-39)63(47)71-64(48)60(38)68(43-20-15-12-16-21-43)44-26-28-46-52-31-41(66(5,6)7)33-54-51-36-58-50(37-59(51)70(61(52)54)57(46)35-44)55-34-42(67(8,9)10)32-53-49-30-40(65(2,3)4)25-29-56(49)69(58)62(53)55/h11-37H,1-10H3

InChIKeyRUWVHMJVFBJPCM-UHFFFAOYSA-N

MW920.21 g/mol

LogP19.22

Rot. Bonds4

About 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine

14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine (PubChem CID 138745365) has the molecular formula C67H57N3O and a molecular weight of 920.21 g/mol. Its IUPAC name is 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine.

Molecular Properties

Compound Name	14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
PubChem CID	138745365
Molecular Formula	C67H57N3O
Molecular Weight	920.21 g/mol
Exact Mass	919.45
IUPAC Name	14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
SMILES	Cc1ccc2c(oc3c(-c4ccccc4)cccc32)c1N(c1ccccc1)c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21
InChI	InChI=1S/C67H57N3O/c1-38-24-27-48-47-23-17-22-45(39-18-13-11-14-19-39)63(47)71-64(48)60(38)68(43-20-15-12-16-21-43)44-26-28-46-52-31-41(66(5,6)7)33-54-51-36-58-50(37-59(51)70(61(52)54)57(46)35-44)55-34-42(67(8,9)10)32-53-49-30-40(65(2,3)4)25-29-56(49)69(58)62(53)55/h11-37H,1-10H3
InChIKey	RUWVHMJVFBJPCM-UHFFFAOYSA-N
XLogP	19.22
TPSA	25.20 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	71
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.21
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?

The IUPAC name of 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine (CID 138745365) is 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine.

What is the SMILES notation for 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?

The canonical SMILES for 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine is Cc1ccc2c(oc3c(-c4ccccc4)cccc32)c1N(c1ccccc1)c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21.

What is the InChIKey of 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?

The InChIKey is RUWVHMJVFBJPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N3O/c1-38-24-27-48-47-23-17-22-45(39-18-13-11-14-19-39)63(47)71-64(48)60(38)68(43-20-15-12-16-21-43)44-26-28-46-52-31-41(66(5,6)7)33-54-51-36-58-50(37-59(51)70(61(52)54)57(46)35-44)55-34-42(67(8,9)10)32-53-49-30-40(65(2,3)4)25-29-56(49)69(58)62(53)55/h11-37H,1-10H3.

What are the key properties of 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?

Where does this data come from?

All data for 14,24,29-tritert-butyl-N-(3-methyl-6-phenyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine is sourced from PubChem (CID 138745365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).