N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine

C54H34N2 — CID 58050142

IUPACN-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3c5ccc6cccc7ccc(cc3n4-c3cccc4ccccc34)c5c76)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C54H34N2/c1-2-17-42(18-3-1)55(48-21-9-13-36-11-4-6-19-44(36)48)43-29-25-35(26-30-43)40-28-32-50-47(33-40)54-46-31-27-39-16-8-15-38-23-24-41(53(46)52(38)39)34-51(54)56(50)49-22-10-14-37-12-5-7-20-45(37)49/h1-34H
InChIKeyKVABBRKCZQIKFL-UHFFFAOYSA-N
MW710.88 g/mol
LogP15.12
Rot. Bonds5

About N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 58050142) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID58050142
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC NameN-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3c5ccc6cccc7ccc(cc3n4-c3cccc4ccccc34)c5c76)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C54H34N2/c1-2-17-42(18-3-1)55(48-21-9-13-36-11-4-6-19-44(36)48)43-29-25-35(26-30-43)40-28-32-50-47(33-40)54-46-31-27-39-16-8-15-38-23-24-41(53(46)52(38)39)34-51(54)56(50)49-22-10-14-37-12-5-7-20-45(37)49/h1-34H
InChIKeyKVABBRKCZQIKFL-UHFFFAOYSA-N
XLogP15.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-[4-[9-(4-fluorophenyl)-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]phenyl]-N-phenylnaphthalen-1-amine
CID 58050159
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-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
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 145362204
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,7-diphenylcarbazol-2-amine
CID 146573551
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118289313
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
6-carbazol-9-yl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415263
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine (CID 58050142) is N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3c5ccc6cccc7ccc(cc3n4-c3cccc4ccccc34)c5c76)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is KVABBRKCZQIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-2-17-42(18-3-1)55(48-21-9-13-36-11-4-6-19-44(36)48)43-29-25-35(26-30-43)40-28-32-50-47(33-40)54-46-31-27-39-16-8-15-38-23-24-41(53(46)52(38)39)34-51(54)56(50)49-22-10-14-37-12-5-7-20-45(37)49/h1-34H.
What are the key properties of N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 710.88 g/mol, XLogP of 15.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-naphthalen-1-yl-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)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 58050142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).