N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine

C62H45NO — CID 171433657

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-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-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(-c4ccc(-c5ccccc5)cc4)c4c3oc3c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C62H45NO/c1-61(2)52-24-14-12-20-46(52)48-32-30-41(36-54(48)61)63(42-31-33-49-47-21-13-15-25-53(47)62(3,4)55(49)37-42)56-35-34-43(40-28-26-39(27-29-40)38-16-6-5-7-17-38)57-58-50-22-10-8-18-44(50)45-19-9-11-23-51(45)59(58)64-60(56)57/h5-37H,1-4H3
InChIKeyFNJWWVCZSXOFOB-UHFFFAOYSA-N
MW820.05 g/mol
LogP17.31
Rot. Bonds5

About N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine (PubChem CID 171433657) has the molecular formula C62H45NO and a molecular weight of 820.05 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-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-amine
PubChem CID171433657
Molecular FormulaC62H45NO
Molecular Weight820.05 g/mol
Exact Mass819.35
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-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-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(-c4ccc(-c5ccccc5)cc4)c4c3oc3c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C62H45NO/c1-61(2)52-24-14-12-20-46(52)48-32-30-41(36-54(48)61)63(42-31-33-49-47-21-13-15-25-53(47)62(3,4)55(49)37-42)56-35-34-43(40-28-26-39(27-29-40)38-16-6-5-7-17-38)57-58-50-22-10-8-18-44(50)45-19-9-11-23-51(45)59(58)64-60(56)57/h5-37H,1-4H3
InChIKeyFNJWWVCZSXOFOB-UHFFFAOYSA-N
XLogP17.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.05
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 N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-19-(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-16-amine
CID 171433250
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
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(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 171433310
N-(9,9-dimethylfluoren-2-yl)-N,19-bis(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-17-amine
CID 171433144
9,9-dimethyl-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)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433236
9,9-dimethyl-N-[4-(19-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-18-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433694
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294804
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine (CID 171433657) is N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(-c4ccc(-c5ccccc5)cc4)c4c3oc3c5ccccc5c5ccccc5c34)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine?
The InChIKey is FNJWWVCZSXOFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45NO/c1-61(2)52-24-14-12-20-46(52)48-32-30-41(36-54(48)61)63(42-31-33-49-47-21-13-15-25-53(47)62(3,4)55(49)37-42)56-35-34-43(40-28-26-39(27-29-40)38-16-6-5-7-17-38)57-58-50-22-10-8-18-44(50)45-19-9-11-23-51(45)59(58)64-60(56)57/h5-37H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine has a molecular weight of 820.05 g/mol, XLogP of 17.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-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-amine is sourced from PubChem (CID 171433657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).