N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

C63H41N — CID 130308581

IUPACN-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C63H41N/c1-62(40-18-3-2-4-19-40)54-28-13-9-26-50(54)53-39-42(35-37-55(53)62)64(41-34-36-47-45-22-6-5-20-43(45)44-21-7-8-23-46(44)52(47)38-41)60-33-17-32-59-61(60)51-27-12-16-31-58(51)63(59)56-29-14-10-24-48(56)49-25-11-15-30-57(49)63/h2-39H,1H3
InChIKeyVCLYKLYBIBGPTI-UHFFFAOYSA-N
MW812.03 g/mol
LogP16.29
Rot. Bonds4

About N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 130308581) has the molecular formula C63H41N and a molecular weight of 812.03 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID130308581
Molecular FormulaC63H41N
Molecular Weight812.03 g/mol
Exact Mass811.32
IUPAC NameN-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C63H41N/c1-62(40-18-3-2-4-19-40)54-28-13-9-26-50(54)53-39-42(35-37-55(53)62)64(41-34-36-47-45-22-6-5-20-43(45)44-21-7-8-23-46(44)52(47)38-41)60-33-17-32-59-61(60)51-27-12-16-31-58(51)63(59)56-29-14-10-24-48(56)49-25-11-15-30-57(49)63/h2-39H,1H3
InChIKeyVCLYKLYBIBGPTI-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.03
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
CID 171453417
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
CID 171453579
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)phenanthren-9-amine
CID 171453100
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453333
N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine
CID 130311297
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
CID 171453734
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-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 130308581) is N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is VCLYKLYBIBGPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N/c1-62(40-18-3-2-4-19-40)54-28-13-9-26-50(54)53-39-42(35-37-55(53)62)64(41-34-36-47-45-22-6-5-20-43(45)44-21-7-8-23-46(44)52(47)38-41)60-33-17-32-59-61(60)51-27-12-16-31-58(51)63(59)56-29-14-10-24-48(56)49-25-11-15-30-57(49)63/h2-39H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 812.03 g/mol, XLogP of 16.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 130308581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).