N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine

C70H49N — CID 166048549

IUPACN-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cccc21
InChIInChI=1S/C70H49N/c1-69(2)62-33-17-16-31-60(62)68-61(32-19-35-64(68)69)67-54-27-12-9-20-46(54)38-42-55(67)47-36-39-51(40-37-47)71(66-44-48-21-10-11-26-53(48)56-28-13-14-30-59(56)66)52-41-43-58-57-29-15-18-34-63(57)70(65(58)45-52,49-22-5-3-6-23-49)50-24-7-4-8-25-50/h3-45H,1-2H3
InChIKeyZCWNYPPWHZSZBO-UHFFFAOYSA-N
MW904.17 g/mol
LogP18.62
Rot. Bonds7

About N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine

N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine (PubChem CID 166048549) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine
PubChem CID166048549
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC NameN-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cccc21
InChIInChI=1S/C70H49N/c1-69(2)62-33-17-16-31-60(62)68-61(32-19-35-64(68)69)67-54-27-12-9-20-46(54)38-42-55(67)47-36-39-51(40-37-47)71(66-44-48-21-10-11-26-53(48)56-28-13-14-30-59(56)66)52-41-43-58-57-29-15-18-34-63(57)70(65(58)45-52,49-22-5-3-6-23-49)50-24-7-4-8-25-50/h3-45H,1-2H3
InChIKeyZCWNYPPWHZSZBO-UHFFFAOYSA-N
XLogP18.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 518.62
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-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
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-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 166732688
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-(7,7-dimethylbenzo[c]fluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine;N-(7,7-dimethylbenzo[c]fluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[c]fluoren-2-amine
CID 159928886
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
CID 171453294
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine?
The IUPAC name of N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine (CID 166048549) is N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine.
What is the SMILES notation for N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine?
The canonical SMILES for N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine is CC1(C)c2ccccc2-c2c(-c3c(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cccc21.
What is the InChIKey of N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine?
The InChIKey is ZCWNYPPWHZSZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-69(2)62-33-17-16-31-60(62)68-61(32-19-35-64(68)69)67-54-27-12-9-20-46(54)38-42-55(67)47-36-39-51(40-37-47)71(66-44-48-21-10-11-26-53(48)56-28-13-14-30-59(56)66)52-41-43-58-57-29-15-18-34-63(57)70(65(58)45-52,49-22-5-3-6-23-49)50-24-7-4-8-25-50/h3-45H,1-2H3.
What are the key properties of N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine?
N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine has a molecular weight of 904.17 g/mol, XLogP of 18.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-9-amine is sourced from PubChem (CID 166048549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).