9,9-dimethyl-N-[4-(16-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

C63H43NO — CID 171433044

IUPAC9,9-dimethyl-N-[4-(16-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c7ccccc7c7ccccc7c6c5c4-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C63H43NO/c1-63(2)56-23-13-12-20-52(56)53-35-34-48(39-57(53)63)64(46-30-26-42(27-31-46)40-14-4-3-5-15-40)47-32-28-43(29-33-47)49-36-37-58-61(59(49)45-25-24-41-16-6-7-17-44(41)38-45)60-54-21-10-8-18-50(54)51-19-9-11-22-55(51)62(60)65-58/h3-39H,1-2H3
InChIKeyPJVDBKVFXKAFHQ-UHFFFAOYSA-N
MW830.04 g/mol
LogP17.82
Rot. Bonds6

About 9,9-dimethyl-N-[4-(16-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

9,9-dimethyl-N-[4-(16-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 (PubChem CID 171433044) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(16-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.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(16-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
PubChem CID171433044
Molecular FormulaC63H43NO
Molecular Weight830.04 g/mol
Exact Mass829.33
IUPAC Name9,9-dimethyl-N-[4-(16-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c7ccccc7c7ccccc7c6c5c4-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C63H43NO/c1-63(2)56-23-13-12-20-52(56)53-35-34-48(39-57(53)63)64(46-30-26-42(27-31-46)40-14-4-3-5-15-40)47-32-28-43(29-33-47)49-36-37-58-61(59(49)45-25-24-41-16-6-7-17-44(41)38-45)60-54-21-10-8-18-50(54)51-19-9-11-22-55(51)62(60)65-58/h3-39H,1-2H3
InChIKeyPJVDBKVFXKAFHQ-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.04
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N-[4-(16-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 with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(17-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-16-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433488
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)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252479
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
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
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171752123
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)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433107
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464839
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(16-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?
The IUPAC name of 9,9-dimethyl-N-[4-(16-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 171433044) is 9,9-dimethyl-N-[4-(16-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.
What is the SMILES notation for 9,9-dimethyl-N-[4-(16-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?
The canonical SMILES for 9,9-dimethyl-N-[4-(16-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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c7ccccc7c7ccccc7c6c5c4-c4ccc5ccccc5c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(16-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?
The InChIKey is PJVDBKVFXKAFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-63(2)56-23-13-12-20-52(56)53-35-34-48(39-57(53)63)64(46-30-26-42(27-31-46)40-14-4-3-5-15-40)47-32-28-43(29-33-47)49-36-37-58-61(59(49)45-25-24-41-16-6-7-17-44(41)38-45)60-54-21-10-8-18-50(54)51-19-9-11-22-55(51)62(60)65-58/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(16-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?
9,9-dimethyl-N-[4-(16-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 has a molecular weight of 830.04 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(16-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 is sourced from PubChem (CID 171433044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).