23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine

C64H43N — CID 155790988

IUPAC23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine
SMILESCC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C64H43N/c1-63(2)58-37-41(35-36-49(58)53-38-51-45-24-8-6-22-43(45)44-23-7-9-25-46(44)52(51)39-59(53)63)65(60-33-17-13-21-42(60)40-19-4-3-5-20-40)61-34-18-32-57-62(61)50-28-12-16-31-56(50)64(57)54-29-14-10-26-47(54)48-27-11-15-30-55(48)64/h3-39H,1-2H3
InChIKeyPTBPCETYHAUPTI-UHFFFAOYSA-N
MW826.06 g/mol
LogP16.93
Rot. Bonds4

About 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine

23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine (PubChem CID 155790988) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine.

Molecular Properties

Compound Name23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine
PubChem CID155790988
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC Name23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine
SMILESCC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C64H43N/c1-63(2)58-37-41(35-36-49(58)53-38-51-45-24-8-6-22-43(45)44-23-7-9-25-46(44)52(51)39-59(53)63)65(60-33-17-13-21-42(60)40-19-4-3-5-20-40)61-34-18-32-57-62(61)50-28-12-16-31-56(50)64(57)54-29-14-10-26-47(54)48-27-11-15-30-55(48)64/h3-39H,1-2H3
InChIKeyPTBPCETYHAUPTI-UHFFFAOYSA-N
XLogP16.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
CID 158813700
CID 158813700
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)triphenylen-2-amine
CID 159512950
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301615
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886

Frequently Asked Questions

What is the IUPAC name of 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine?
The IUPAC name of 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine (CID 155790988) is 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine.
What is the SMILES notation for 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine?
The canonical SMILES for 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine is CC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.
What is the InChIKey of 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine?
The InChIKey is PTBPCETYHAUPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-63(2)58-37-41(35-36-49(58)53-38-51-45-24-8-6-22-43(45)44-23-7-9-25-46(44)52(51)39-59(53)63)65(60-33-17-13-21-42(60)40-19-4-3-5-20-40)61-34-18-32-57-62(61)50-28-12-16-31-56(50)64(57)54-29-14-10-26-47(54)48-27-11-15-30-55(48)64/h3-39H,1-2H3.
What are the key properties of 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine?
23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine has a molecular weight of 826.06 g/mol, XLogP of 16.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine is sourced from PubChem (CID 155790988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).