N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine

C60H38N2S — CID 146508622

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2c3c4cccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6sc6ccccc67)cc5)c4c4ccccc4c3n3ccccc23)cc1
InChIInChI=1S/C60H38N2S/c1-2-16-42(17-3-1)56-53-27-10-11-38-61(53)59-50-22-7-6-21-49(50)57-47(24-13-26-52(57)58(56)59)41-32-36-44(37-33-41)62(54-28-14-25-51-48-20-8-9-29-55(48)63-60(51)54)43-34-30-40(31-35-43)46-23-12-18-39-15-4-5-19-45(39)46/h1-38H
InChIKeyNLKSPUWYLLJZOQ-UHFFFAOYSA-N
MW819.05 g/mol
LogP17.39
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 146508622) has the molecular formula C60H38N2S and a molecular weight of 819.05 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine
PubChem CID146508622
Molecular FormulaC60H38N2S
Molecular Weight819.05 g/mol
Exact Mass818.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2c3c4cccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6sc6ccccc67)cc5)c4c4ccccc4c3n3ccccc23)cc1
InChIInChI=1S/C60H38N2S/c1-2-16-42(17-3-1)56-53-27-10-11-38-61(53)59-50-22-7-6-21-49(50)57-47(24-13-26-52(57)58(56)59)41-32-36-44(37-33-41)62(54-28-14-25-51-48-20-8-9-29-55(48)63-60(51)54)43-34-30-40(31-35-43)46-23-12-18-39-15-4-5-19-45(39)46/h1-38H
InChIKeyNLKSPUWYLLJZOQ-UHFFFAOYSA-N
XLogP17.39
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.05
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508947
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine
CID 146508653
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508892
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
4-phenyl-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 146508948
N-dibenzofuran-3-yl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]dibenzothiophen-4-amine;4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 159943101
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenanthren-9-amine;N-phenanthren-2-yl-N-[4-[3-(12-phenylnaphtho[1,2-b]indolizin-1-yl)phenyl]phenyl]dibenzothiophen-2-amine;N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine;N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-1-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160725602

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine (CID 146508622) is N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2c3c4cccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6sc6ccccc67)cc5)c4c4ccccc4c3n3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is NLKSPUWYLLJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2S/c1-2-16-42(17-3-1)56-53-27-10-11-38-61(53)59-50-22-7-6-21-49(50)57-47(24-13-26-52(57)58(56)59)41-32-36-44(37-33-41)62(54-28-14-25-51-48-20-8-9-29-55(48)63-60(51)54)43-34-30-40(31-35-43)46-23-12-18-39-15-4-5-19-45(39)46/h1-38H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 819.05 g/mol, XLogP of 17.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-6-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 146508622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).