4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline

C62H41NO — CID 171433540

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4oc5c6ccccc6c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C62H41NO/c1-4-14-42(15-5-1)45-24-26-48(27-25-45)53-40-41-54(61-59(53)60-57-22-12-10-20-55(57)56-21-11-13-23-58(56)62(60)64-61)49-32-38-52(39-33-49)63(50-34-28-46(29-35-50)43-16-6-2-7-17-43)51-36-30-47(31-37-51)44-18-8-3-9-19-44/h1-41H
InChIKeyUHLHURAPCQDKQA-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline (PubChem CID 171433540) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline
PubChem CID171433540
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4oc5c6ccccc6c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C62H41NO/c1-4-14-42(15-5-1)45-24-26-48(27-25-45)53-40-41-54(61-59(53)60-57-22-12-10-20-55(57)56-21-11-13-23-58(56)62(60)64-61)49-32-38-52(39-33-49)63(50-34-28-46(29-35-50)43-16-6-2-7-17-43)51-36-30-47(31-37-51)44-18-8-3-9-19-44/h1-41H
InChIKeyUHLHURAPCQDKQA-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline with MolForge

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Related Compounds

16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine
CID 171433656
4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171433284
N-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]-N,4-diphenylaniline
CID 169060901
4-phenyl-N-[4-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 171433357
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N,4-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
CID 130208173
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
4-phenyl-N-[4-(17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171433109
4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170243095
N-(4-dibenzofuran-4-ylphenyl)-17-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433045
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline (CID 171433540) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4oc5c6ccccc6c6ccccc6c5c34)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline?
The InChIKey is UHLHURAPCQDKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-4-14-42(15-5-1)45-24-26-48(27-25-45)53-40-41-54(61-59(53)60-57-22-12-10-20-55(57)56-21-11-13-23-58(56)62(60)64-61)49-32-38-52(39-33-49)63(50-34-28-46(29-35-50)43-16-6-2-7-17-43)51-36-30-47(31-37-51)44-18-8-3-9-19-44/h1-41H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline is sourced from PubChem (CID 171433540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).