13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine

C56H43N3 — CID 165010245

IUPAC13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1n1c3c(c4cccc2c41)-c1cc2ccc(N(c4ccccc4)c4ccccc4)cc2cc1C3(C)C
InChIInChI=1S/C56H43N3/c1-55(2)48-31-30-43(58(40-22-13-7-14-23-40)41-24-15-8-16-25-41)35-47(48)51-45-27-17-26-44-50-46-33-36-28-29-42(57(38-18-9-5-10-19-38)39-20-11-6-12-21-39)32-37(36)34-49(46)56(3,4)54(50)59(52(44)45)53(51)55/h5-35H,1-4H3
InChIKeyJPBCNNMNAGCWNH-UHFFFAOYSA-N
MW757.98 g/mol
LogP15.24
Rot. Bonds6

About 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine

13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine (PubChem CID 165010245) has the molecular formula C56H43N3 and a molecular weight of 757.98 g/mol. Its IUPAC name is 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine.

Molecular Properties

Compound Name13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine
PubChem CID165010245
Molecular FormulaC56H43N3
Molecular Weight757.98 g/mol
Exact Mass757.35
IUPAC Name13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1n1c3c(c4cccc2c41)-c1cc2ccc(N(c4ccccc4)c4ccccc4)cc2cc1C3(C)C
InChIInChI=1S/C56H43N3/c1-55(2)48-31-30-43(58(40-22-13-7-14-23-40)41-24-15-8-16-25-41)35-47(48)51-45-27-17-26-44-50-46-33-36-28-29-42(57(38-18-9-5-10-19-38)39-20-11-6-12-21-39)32-37(36)34-49(46)56(3,4)54(50)59(52(44)45)53(51)55/h5-35H,1-4H3
InChIKeyJPBCNNMNAGCWNH-UHFFFAOYSA-N
XLogP15.24
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.98
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine with MolForge

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Related Compounds

13,13,18,18-tetramethyl-8-N,8-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155359969
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-17-amine
CID 130290091
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138
N-(4-ethylphenyl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-20-amine
CID 121431454
25,25-dimethyl-N,N-bis(4-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-20-amine
CID 121431529
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
18,18-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155361880
12,12-dimethyl-N-phenyl-N-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290640
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
12,12-dimethyl-7,17-bis(N-phenylanilino)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-3-carbonitrile
CID 70835665
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737

Frequently Asked Questions

What is the IUPAC name of 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine?
The IUPAC name of 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine (CID 165010245) is 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine.
What is the SMILES notation for 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine?
The canonical SMILES for 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine is CC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1n1c3c(c4cccc2c41)-c1cc2ccc(N(c4ccccc4)c4ccccc4)cc2cc1C3(C)C.
What is the InChIKey of 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine?
The InChIKey is JPBCNNMNAGCWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N3/c1-55(2)48-31-30-43(58(40-22-13-7-14-23-40)41-24-15-8-16-25-41)35-47(48)51-45-27-17-26-44-50-46-33-36-28-29-42(57(38-18-9-5-10-19-38)39-20-11-6-12-21-39)32-37(36)34-49(46)56(3,4)54(50)59(52(44)45)53(51)55/h5-35H,1-4H3.
What are the key properties of 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine?
13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine has a molecular weight of 757.98 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine is sourced from PubChem (CID 165010245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).