24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine

C44H33N3 — CID 144635152

IUPAC24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2cccnc2)c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C44H33N3/c1-44(2)40-26-32(46(30-14-5-3-6-15-30)31-16-7-4-8-17-31)23-24-42(40)47(33-18-13-25-45-29-33)43-28-39-37-22-12-10-20-35(37)34-19-9-11-21-36(34)38(39)27-41(43)44/h3-29H,1-2H3
InChIKeyQLTBQGRWFQPXIA-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.12
Rot. Bonds4

About 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine

24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine (PubChem CID 144635152) has the molecular formula C44H33N3 and a molecular weight of 603.77 g/mol. Its IUPAC name is 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine.

Molecular Properties

Compound Name24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
PubChem CID144635152
Molecular FormulaC44H33N3
Molecular Weight603.77 g/mol
Exact Mass603.27
IUPAC Name24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2cccnc2)c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C44H33N3/c1-44(2)40-26-32(46(30-14-5-3-6-15-30)31-16-7-4-8-17-31)23-24-42(40)47(33-18-13-25-45-29-33)43-28-39-37-22-12-10-20-35(37)34-19-9-11-21-36(34)38(39)27-41(43)44/h3-29H,1-2H3
InChIKeyQLTBQGRWFQPXIA-UHFFFAOYSA-N
XLogP12.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine with MolForge

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Related Compounds

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
CID 144635165
N,N,17,24,24-pentakis-phenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
CID 144635164
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
10-[3-carbazol-9-yl-5-(5,5-diphenylbenzo[b][1,7]naphthyridin-10-yl)phenyl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 154589764
N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine
CID 90268451
10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 121475671
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
10,10-dimethyl-N,N,14-triphenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-21,9'-fluorene]-18-amine
CID 166844469
9,9-dimethyl-10-phenyl-N,N-bis(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-2-amine
CID 123572425

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?
The IUPAC name of 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine (CID 144635152) is 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine.
What is the SMILES notation for 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?
The canonical SMILES for 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2cccnc2)c2cc3c4ccccc4c4ccccc4c3cc21.
What is the InChIKey of 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?
The InChIKey is QLTBQGRWFQPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3/c1-44(2)40-26-32(46(30-14-5-3-6-15-30)31-16-7-4-8-17-31)23-24-42(40)47(33-18-13-25-45-29-33)43-28-39-37-22-12-10-20-35(37)34-19-9-11-21-36(34)38(39)27-41(43)44/h3-29H,1-2H3.
What are the key properties of 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?
24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine has a molecular weight of 603.77 g/mol, XLogP of 12.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine is sourced from PubChem (CID 144635152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).