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

C72H46N2O — CID 147560341

IUPACN-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4c5ccccc5c(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C72H46N2O/c1-4-22-47(23-5-1)48-40-43-52(44-41-48)73(50-25-6-2-7-26-50)71-60-36-18-14-32-56(60)67(57-33-15-19-37-61(57)71)68-58-34-16-20-38-62(58)72(63-39-21-17-35-59(63)68)74(51-27-8-3-9-28-51)64-46-66-70(55-31-13-12-30-54(55)64)69-53-29-11-10-24-49(53)42-45-65(69)75-66/h1-46H
InChIKeyFSMSTAUUSVZWRV-UHFFFAOYSA-N
MW955.17 g/mol
LogP20.78
Rot. Bonds8

About 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

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 (PubChem CID 147560341) has the molecular formula C72H46N2O and a molecular weight of 955.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID147560341
Molecular FormulaC72H46N2O
Molecular Weight955.17 g/mol
Exact Mass954.36
IUPAC NameN-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4c5ccccc5c(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C72H46N2O/c1-4-22-47(23-5-1)48-40-43-52(44-41-48)73(50-25-6-2-7-26-50)71-60-36-18-14-32-56(60)67(57-33-15-19-37-61(57)71)68-58-34-16-20-38-62(58)72(63-39-21-17-35-59(63)68)74(51-27-8-3-9-28-51)64-46-66-70(55-31-13-12-30-54(55)64)69-53-29-11-10-24-49(53)42-45-65(69)75-66/h1-46H
InChIKeyFSMSTAUUSVZWRV-UHFFFAOYSA-N
XLogP20.78
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.17
LogP ≤ 520.78
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-[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 with MolForge

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Related Compounds

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-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
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-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-[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-[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-[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-(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-chlorophenyl)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 153468544
N-phenyl-N-[10-[10-(N-phenylanilino)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-10-amine
CID 153468536
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-10-amine
CID 153468575

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4c5ccccc5c(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FSMSTAUUSVZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N2O/c1-4-22-47(23-5-1)48-40-43-52(44-41-48)73(50-25-6-2-7-26-50)71-60-36-18-14-32-56(60)67(57-33-15-19-37-61(57)71)68-58-34-16-20-38-62(58)72(63-39-21-17-35-59(63)68)74(51-27-8-3-9-28-51)64-46-66-70(55-31-13-12-30-54(55)64)69-53-29-11-10-24-49(53)42-45-65(69)75-66/h1-46H.
What are the key properties of 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?
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 has a molecular weight of 955.17 g/mol, XLogP of 20.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147560341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).