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

C59H41NO — CID 171433144

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)c4oc5c6ccccc6c6ccccc6c5c4c3)cc21
InChIInChI=1S/C59H41NO/c1-59(2)54-24-14-13-21-48(54)49-34-33-44(37-55(49)59)60(43-31-29-41(30-32-43)39-17-7-4-8-18-39)45-35-52(42-27-25-40(26-28-42)38-15-5-3-6-16-38)57-53(36-45)56-50-22-11-9-19-46(50)47-20-10-12-23-51(47)58(56)61-57/h3-37H,1-2H3
InChIKeyIUJNYTKUNPOMTO-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.67
Rot. Bonds6

About 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

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 (PubChem CID 171433144) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID171433144
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)c4oc5c6ccccc6c6ccccc6c5c4c3)cc21
InChIInChI=1S/C59H41NO/c1-59(2)54-24-14-13-21-48(54)49-34-33-44(37-55(49)59)60(43-31-29-41(30-32-43)39-17-7-4-8-18-39)45-35-52(42-27-25-40(26-28-42)38-15-5-3-6-16-38)57-53(36-45)56-50-22-11-9-19-46(50)47-20-10-12-23-51(47)58(56)61-57/h3-37H,1-2H3
InChIKeyIUJNYTKUNPOMTO-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-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-17-amine
CID 171433297
9,9-dimethyl-N-[4-(19-naphthalen-2-yl-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-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433597
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
9,9-dimethyl-N-[4-(19-naphthalen-1-yl-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-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433237
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
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
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
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
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6-trimethylsilyldibenzofuran-4-yl)phenyl]fluoren-2-amine
CID 90125958
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)c4oc5c6ccccc6c6ccccc6c5c4c3)cc21.
What is the InChIKey of 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?
The InChIKey is IUJNYTKUNPOMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)54-24-14-13-21-48(54)49-34-33-44(37-55(49)59)60(43-31-29-41(30-32-43)39-17-7-4-8-18-39)45-35-52(42-27-25-40(26-28-42)38-15-5-3-6-16-38)57-53(36-45)56-50-22-11-9-19-46(50)47-20-10-12-23-51(47)58(56)61-57/h3-37H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 779.98 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171433144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).