5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

C75H54N2 — CID 121431217

IUPAC5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
SMILESCC1(C)c2c(ccc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc23)-c2c1c1ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc1c1ccccc21
InChIInChI=1S/C75H54N2/c1-75(2)73-62-43-40-60(76(58-31-17-7-18-32-58)70-45-38-55(51-23-9-3-10-24-51)48-67(70)53-27-13-5-14-28-53)47-57(62)37-42-66(73)72-64-36-22-21-35-63(64)69-50-61(41-44-65(69)74(72)75)77(59-33-19-8-20-34-59)71-46-39-56(52-25-11-4-12-26-52)49-68(71)54-29-15-6-16-30-54/h3-50H,1-2H3
InChIKeyJVQLRHKBKQXXNJ-UHFFFAOYSA-N
MW983.27 g/mol
LogP21.06
Rot. Bonds10

About 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (PubChem CID 121431217) has the molecular formula C75H54N2 and a molecular weight of 983.27 g/mol. Its IUPAC name is 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.

Molecular Properties

Compound Name5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
PubChem CID121431217
Molecular FormulaC75H54N2
Molecular Weight983.27 g/mol
Exact Mass982.43
IUPAC Name5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
SMILESCC1(C)c2c(ccc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc23)-c2c1c1ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc1c1ccccc21
InChIInChI=1S/C75H54N2/c1-75(2)73-62-43-40-60(76(58-31-17-7-18-32-58)70-45-38-55(51-23-9-3-10-24-51)48-67(70)53-27-13-5-14-28-53)47-57(62)37-42-66(73)72-64-36-22-21-35-63(64)69-50-61(41-44-65(69)74(72)75)77(59-33-19-8-20-34-59)71-46-39-56(52-25-11-4-12-26-52)49-68(71)54-29-15-6-16-30-54/h3-50H,1-2H3
InChIKeyJVQLRHKBKQXXNJ-UHFFFAOYSA-N
XLogP21.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.27
LogP ≤ 521.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine with MolForge

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Related Compounds

5-N,20-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431249
25,25-dimethyl-20-N-(3-methylphenyl)-5-N,5-N,20-N-triphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121432675
N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 121431245
5-N,20-N-bis(4-tert-butylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431201
N-(2-fluorophenyl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
CID 121431582
N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
CID 121431565
5-N,5-N,20-N,20-N-tetrakis(4-tert-butylphenyl)-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431204
25,25-dimethyl-N-phenyl-N-(3,4,5-trimethylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
CID 121431553
N,N-bis(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)dibenzofuran-4-amine
CID 121431599
N-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-N-phenyldibenzofuran-2-amine
CID 121431585
9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 145353209
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118

Frequently Asked Questions

What is the IUPAC name of 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The IUPAC name of 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (CID 121431217) is 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.
What is the SMILES notation for 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The canonical SMILES for 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is CC1(C)c2c(ccc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc23)-c2c1c1ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc1c1ccccc21.
What is the InChIKey of 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The InChIKey is JVQLRHKBKQXXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N2/c1-75(2)73-62-43-40-60(76(58-31-17-7-18-32-58)70-45-38-55(51-23-9-3-10-24-51)48-67(70)53-27-13-5-14-28-53)47-57(62)37-42-66(73)72-64-36-22-21-35-63(64)69-50-61(41-44-65(69)74(72)75)77(59-33-19-8-20-34-59)71-46-39-56(52-25-11-4-12-26-52)49-68(71)54-29-15-6-16-30-54/h3-50H,1-2H3.
What are the key properties of 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine has a molecular weight of 983.27 g/mol, XLogP of 21.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is sourced from PubChem (CID 121431217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).