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

C62H40N2 — CID 58050114

IUPAC5-(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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-c5ccc6c(c5)c5c7ccc8cccc9ccc(cc5n6-c5ccccc5)c7c98)cccc34)cc2)cc1
InChIInChI=1S/C62H40N2/c1-4-13-41(14-5-1)43-27-33-50(34-28-43)63(51-35-29-44(30-36-51)42-15-6-2-7-16-42)57-24-12-22-53-52(21-11-23-54(53)57)47-32-38-58-56(39-47)62-55-37-31-46-18-10-17-45-25-26-48(61(55)60(45)46)40-59(62)64(58)49-19-8-3-9-20-49/h1-40H
InChIKeyZZDRVQUJIBHUCP-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.31
Rot. Bonds7

About 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

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 (PubChem CID 58050114) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID58050114
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC Name5-(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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-c5ccc6c(c5)c5c7ccc8cccc9ccc(cc5n6-c5ccccc5)c7c98)cccc34)cc2)cc1
InChIInChI=1S/C62H40N2/c1-4-13-41(14-5-1)43-27-33-50(34-28-43)63(51-35-29-44(30-36-51)42-15-6-2-7-16-42)57-24-12-22-53-52(21-11-23-54(53)57)47-32-38-58-56(39-47)62-55-37-31-46-18-10-17-45-25-26-48(61(55)60(45)46)40-59(62)64(58)49-19-8-3-9-20-49/h1-40H
InChIKeyZZDRVQUJIBHUCP-UHFFFAOYSA-N
XLogP17.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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
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-[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
9,9-dimethyl-N-[4-(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)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-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]fluoren-2-amine;4-phenyl-N-[4-(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)phenyl]-N-(4-phenylphenyl)aniline
CID 158385057
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(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)phenyl]fluoren-2-amine
CID 58050148
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
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
N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59728542
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847541
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
5-(4-bromophenyl)-9-(4-phenylphenyl)-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-undecaene
CID 58050178
6-(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-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
CID 90305755

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-c5ccc6c(c5)c5c7ccc8cccc9ccc(cc5n6-c5ccccc5)c7c98)cccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZZDRVQUJIBHUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-4-13-41(14-5-1)43-27-33-50(34-28-43)63(51-35-29-44(30-36-51)42-15-6-2-7-16-42)57-24-12-22-53-52(21-11-23-54(53)57)47-32-38-58-56(39-47)62-55-37-31-46-18-10-17-45-25-26-48(61(55)60(45)46)40-59(62)64(58)49-19-8-3-9-20-49/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 813.02 g/mol, XLogP of 17.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58050114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).