N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline

C58H38N2 — CID 88554974

IUPACN,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4ccc5ccc6cc7c(c8ccc4c5c68)c4ccccc4n7-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C58H38N2/c1-5-15-39(16-6-1)44-35-45(40-17-7-2-8-18-40)37-49(36-44)59(46-19-9-3-10-20-46)48-30-27-41(28-31-48)50-32-29-42-25-26-43-38-55-58(53-34-33-51(50)56(42)57(43)53)52-23-13-14-24-54(52)60(55)47-21-11-4-12-22-47/h1-38H
InChIKeyMACBWXBRUQVJFS-UHFFFAOYSA-N
MW762.96 g/mol
LogP16.15
Rot. Bonds7

About N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline

N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline (PubChem CID 88554974) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline.

Molecular Properties

Compound NameN,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline
PubChem CID88554974
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC NameN,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4ccc5ccc6cc7c(c8ccc4c5c68)c4ccccc4n7-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C58H38N2/c1-5-15-39(16-6-1)44-35-45(40-17-7-2-8-18-40)37-49(36-44)59(46-19-9-3-10-20-46)48-30-27-41(28-31-48)50-32-29-42-25-26-43-38-55-58(53-34-33-51(50)56(42)57(43)53)52-23-13-14-24-54(52)60(55)47-21-11-4-12-22-47/h1-38H
InChIKeyMACBWXBRUQVJFS-UHFFFAOYSA-N
XLogP16.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline with MolForge

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Related Compounds

4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-N,N-diphenylaniline
CID 87411980
4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-18-yl)-N,N-diphenylaniline
CID 88555045
N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine
CID 87411915
N,N-diphenyl-7-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenanthren-2-amine
CID 87411950
4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline
CID 88554992
N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]pyridin-2-amine
CID 88554999
4-phenyl-N-[4-(3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 89341685
4-[7-(3,5-diphenylphenyl)-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4(9),5,7,11,13,15,17,19(23),20-undecaen-16-yl]-N,N-diphenylaniline
CID 89341653
N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90249615
5-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 58050114
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
CID 90125587

Frequently Asked Questions

What is the IUPAC name of N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline?
The IUPAC name of N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline (CID 88554974) is N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline.
What is the SMILES notation for N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline?
The canonical SMILES for N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4ccc5ccc6cc7c(c8ccc4c5c68)c4ccccc4n7-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline?
The InChIKey is MACBWXBRUQVJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-5-15-39(16-6-1)44-35-45(40-17-7-2-8-18-40)37-49(36-44)59(46-19-9-3-10-20-46)48-30-27-41(28-31-48)50-32-29-42-25-26-43-38-55-58(53-34-33-51(50)56(42)57(43)53)52-23-13-14-24-54(52)60(55)47-21-11-4-12-22-47/h1-38H.
What are the key properties of N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline?
N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline has a molecular weight of 762.96 g/mol, XLogP of 16.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline is sourced from PubChem (CID 88554974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).