N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine

C65H45N — CID 171453333

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C65H45N/c1-64(45-25-8-3-9-26-45)56-37-20-18-33-51(56)55-43-48(41-42-57(55)64)66(63-53-35-17-15-32-50(53)49-31-14-16-34-52(49)61(63)44-23-6-2-7-24-44)60-40-22-39-59-62(60)54-36-19-21-38-58(54)65(59,46-27-10-4-11-28-46)47-29-12-5-13-30-47/h2-43H,1H3
InChIKeyVYEOLQIBLZYKDQ-UHFFFAOYSA-N
MW840.08 g/mol
LogP16.83
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine

N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine (PubChem CID 171453333) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
PubChem CID171453333
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C65H45N/c1-64(45-25-8-3-9-26-45)56-37-20-18-33-51(56)55-43-48(41-42-57(55)64)66(63-53-35-17-15-32-50(53)49-31-14-16-34-52(49)61(63)44-23-6-2-7-24-44)60-40-22-39-59-62(60)54-36-19-21-38-58(54)65(59,46-27-10-4-11-28-46)47-29-12-5-13-30-47/h2-43H,1H3
InChIKeyVYEOLQIBLZYKDQ-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 516.83
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,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453114
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
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-[4-[3-[10-[N-(9,9-diphenylfluoren-4-yl)-4-[4-[3-[10-(N-(9,9-diphenylfluoren-4-yl)-3-phenylanilino)phenanthren-9-yl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-10-phenylphenanthren-9-amine
CID 155305136
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
CID 171453417
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
CID 171453579
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-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159770549

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine (CID 171453333) is N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc21.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
The InChIKey is VYEOLQIBLZYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-64(45-25-8-3-9-26-45)56-37-20-18-33-51(56)55-43-48(41-42-57(55)64)66(63-53-35-17-15-32-50(53)49-31-14-16-34-52(49)61(63)44-23-6-2-7-24-44)60-40-22-39-59-62(60)54-36-19-21-38-58(54)65(59,46-27-10-4-11-28-46)47-29-12-5-13-30-47/h2-43H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine has a molecular weight of 840.08 g/mol, XLogP of 16.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine is sourced from PubChem (CID 171453333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).