N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine

C59H41N — CID 171453294

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H41N/c1-58(41-20-5-2-6-21-41)53-31-17-15-28-48(53)50-35-33-44(38-55(50)58)60(57-37-40-19-11-12-26-46(40)47-27-13-14-30-52(47)57)45-34-36-51-49-29-16-18-32-54(49)59(56(51)39-45,42-22-7-3-8-23-42)43-24-9-4-10-25-43/h2-39H,1H3
InChIKeyKTYLWRIETOZZFL-UHFFFAOYSA-N
MW763.98 g/mol
LogP15.16
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine

N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine (PubChem CID 171453294) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
PubChem CID171453294
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H41N/c1-58(41-20-5-2-6-21-41)53-31-17-15-28-48(53)50-35-33-44(38-55(50)58)60(57-37-40-19-11-12-26-46(40)47-27-13-14-30-52(47)57)45-34-36-51-49-29-16-18-32-54(49)59(56(51)39-45,42-22-7-3-8-23-42)43-24-9-4-10-25-43/h2-39H,1H3
InChIKeyKTYLWRIETOZZFL-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 515.16
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-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine
CID 171453614
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)phenanthren-9-amine
CID 171453100
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine
CID 171453718
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 139297927
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine (CID 171453294) is N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine?
The InChIKey is KTYLWRIETOZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-58(41-20-5-2-6-21-41)53-31-17-15-28-48(53)50-35-33-44(38-55(50)58)60(57-37-40-19-11-12-26-46(40)47-27-13-14-30-52(47)57)45-34-36-51-49-29-16-18-32-54(49)59(56(51)39-45,42-22-7-3-8-23-42)43-24-9-4-10-25-43/h2-39H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine has a molecular weight of 763.98 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine is sourced from PubChem (CID 171453294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).