N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C74H48N2O — CID 153468524

IUPACN-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C74H48N2O/c1-4-20-49(21-5-1)51-36-41-55(42-37-51)75(56-43-38-52(39-44-56)50-22-6-2-7-23-50)74-65-34-18-16-32-62(65)71(63-33-17-19-35-66(63)74)64-45-46-67(59-29-13-12-28-58(59)64)76(54-25-8-3-9-26-54)68-48-70-73(61-31-15-14-30-60(61)68)72-57-27-11-10-24-53(57)40-47-69(72)77-70/h1-48H
InChIKeyJBQRMLYEHPMUGZ-UHFFFAOYSA-N
MW981.21 g/mol
LogP21.29
Rot. Bonds9

About N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 153468524) has the molecular formula C74H48N2O and a molecular weight of 981.21 g/mol. Its IUPAC name is N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
PubChem CID153468524
Molecular FormulaC74H48N2O
Molecular Weight981.21 g/mol
Exact Mass980.38
IUPAC NameN-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C74H48N2O/c1-4-20-49(21-5-1)51-36-41-55(42-37-51)75(56-43-38-52(39-44-56)50-22-6-2-7-23-50)74-65-34-18-16-32-62(65)71(63-33-17-19-35-66(63)74)64-45-46-67(59-29-13-12-28-58(59)64)76(54-25-8-3-9-26-54)68-48-70-73(61-31-15-14-30-60(61)68)72-57-27-11-10-24-53(57)40-47-69(72)77-70/h1-48H
InChIKeyJBQRMLYEHPMUGZ-UHFFFAOYSA-N
XLogP21.29
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.21
LogP ≤ 521.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine with MolForge

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Related Compounds

N-phenyl-N-[10-[10-(N-(4-phenylphenyl)anilino)anthracen-9-yl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 147560341
N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 159200183
N-[4-[10-(N-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468577
N-[10-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]naphthalen-1-yl]anthracen-9-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468642
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468588
N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468639
N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468645
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-4-phenylanilino]anthracen-1-yl]phenyl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468558
N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]naphthalen-1-yl]naphthalen-1-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468589
N-phenyl-N-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-phenyl-N-[10-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(4-phenylphenyl)-N-[10-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-(4-phenylphenyl)-N-[10-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 159951435
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(4-phenylphenyl)-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 162147906

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The IUPAC name of N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 153468524) is N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.
What is the SMILES notation for N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The canonical SMILES for N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The InChIKey is JBQRMLYEHPMUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O/c1-4-20-49(21-5-1)51-36-41-55(42-37-51)75(56-43-38-52(39-44-56)50-22-6-2-7-23-50)74-65-34-18-16-32-62(65)71(63-33-17-19-35-66(63)74)64-45-46-67(59-29-13-12-28-58(59)64)76(54-25-8-3-9-26-54)68-48-70-73(61-31-15-14-30-60(61)68)72-57-27-11-10-24-53(57)40-47-69(72)77-70/h1-48H.
What are the key properties of N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 981.21 g/mol, XLogP of 21.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[10-(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 153468524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).