13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine

C61H55N — CID 170291324

IUPAC13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine
SMILESCC(C)(C)c1cc2cc(c1)C(C)(C)c1ccc(c(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(C(C)(C)C)ccc3-c3ccccc3)c1)-c1cccc3cccc-2c13
InChIInChI=1S/C61H55N/c1-59(2,3)45-30-32-52(41-18-10-9-11-19-41)56(38-45)62(49-25-14-24-43(36-49)51-27-15-21-40-20-12-13-26-50(40)51)57-39-46-31-33-54(57)55-29-17-23-42-22-16-28-53(58(42)55)44-34-47(60(4,5)6)37-48(35-44)61(46,7)8/h9-39H,1-8H3
InChIKeyXRJUEKFAEHLUCT-UHFFFAOYSA-N
MW802.12 g/mol
LogP17.37
Rot. Bonds5

About 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine

13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine (PubChem CID 170291324) has the molecular formula C61H55N and a molecular weight of 802.12 g/mol. Its IUPAC name is 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine.

Molecular Properties

Compound Name13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine
PubChem CID170291324
Molecular FormulaC61H55N
Molecular Weight802.12 g/mol
Exact Mass801.43
IUPAC Name13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine
SMILESCC(C)(C)c1cc2cc(c1)C(C)(C)c1ccc(c(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(C(C)(C)C)ccc3-c3ccccc3)c1)-c1cccc3cccc-2c13
InChIInChI=1S/C61H55N/c1-59(2,3)45-30-32-52(41-18-10-9-11-19-41)56(38-45)62(49-25-14-24-43(36-49)51-27-15-21-40-20-12-13-26-50(40)51)57-39-46-31-33-54(57)55-29-17-23-42-22-16-28-53(58(42)55)44-34-47(60(4,5)6)37-48(35-44)61(46,7)8/h9-39H,1-8H3
InChIKeyXRJUEKFAEHLUCT-UHFFFAOYSA-N
XLogP17.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.12
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine with MolForge

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Related Compounds

5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290061
2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 170296938
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-phenanthren-1-ylphenyl)-N-phenylaniline
CID 170290977
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303557
N-(5-tert-butyl-2-phenylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethylfluoren-4-amine
CID 170293751
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170291271
N-(5-tert-butyl-2-phenylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170292168
2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170304818

Frequently Asked Questions

What is the IUPAC name of 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine?
The IUPAC name of 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine (CID 170291324) is 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine.
What is the SMILES notation for 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine?
The canonical SMILES for 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine is CC(C)(C)c1cc2cc(c1)C(C)(C)c1ccc(c(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(C(C)(C)C)ccc3-c3ccccc3)c1)-c1cccc3cccc-2c13.
What is the InChIKey of 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine?
The InChIKey is XRJUEKFAEHLUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H55N/c1-59(2,3)45-30-32-52(41-18-10-9-11-19-41)56(38-45)62(49-25-14-24-43(36-49)51-27-15-21-40-20-12-13-26-50(40)51)57-39-46-31-33-54(57)55-29-17-23-42-22-16-28-53(58(42)55)44-34-47(60(4,5)6)37-48(35-44)61(46,7)8/h9-39H,1-8H3.
What are the key properties of 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine?
13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine has a molecular weight of 802.12 g/mol, XLogP of 17.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine is sourced from PubChem (CID 170291324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).