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

C55H38N2 — CID 144635164

IUPACN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c5ccccc5c5ccccc5c4cc2N3c2ccccc2)cc1
InChIInChI=1S/C55H38N2/c1-6-20-39(21-7-1)55(40-22-8-2-9-23-40)51-36-44(56(41-24-10-3-11-25-41)42-26-12-4-13-27-42)34-35-53(51)57(43-28-14-5-15-29-43)54-38-50-48-33-19-17-31-46(48)45-30-16-18-32-47(45)49(50)37-52(54)55/h1-38H
InChIKeyYLHLJCGLBMLADO-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.78
Rot. Bonds6

About 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

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 (PubChem CID 144635164) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID144635164
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC NameN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c5ccccc5c5ccccc5c4cc2N3c2ccccc2)cc1
InChIInChI=1S/C55H38N2/c1-6-20-39(21-7-1)55(40-22-8-2-9-23-40)51-36-44(56(41-24-10-3-11-25-41)42-26-12-4-13-27-42)34-35-53(51)57(43-28-14-5-15-29-43)54-38-50-48-33-19-17-31-46(48)45-30-16-18-32-47(45)49(50)37-52(54)55/h1-38H
InChIKeyYLHLJCGLBMLADO-UHFFFAOYSA-N
XLogP14.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
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
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine
CID 126493583
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
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647
N-[4-[9-[4-(N-dibenzofuran-4-ylanilino)phenyl]-10-phenylacridin-9-yl]phenyl]-N-phenyldibenzofuran-4-amine;4-(9,10-diphenylacridin-9-yl)-N-[4-(9,10-diphenylacridin-9-yl)phenyl]-N-phenylaniline
CID 161331273
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
N-(9,9-diphenylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135168780
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c5ccccc5c5ccccc5c4cc2N3c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is YLHLJCGLBMLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-6-20-39(21-7-1)55(40-22-8-2-9-23-40)51-36-44(56(41-24-10-3-11-25-41)42-26-12-4-13-27-42)34-35-53(51)57(43-28-14-5-15-29-43)54-38-50-48-33-19-17-31-46(48)45-30-16-18-32-47(45)49(50)37-52(54)55/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 726.92 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144635164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).