N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

C73H49N — CID 169065537

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C73H49N/c1-5-22-52(23-6-1)71-67-36-16-15-34-63(67)64-45-41-55(48-68(64)72(71)53-24-7-2-8-25-53)54-27-19-32-59(47-54)74(58-42-39-51(40-43-58)62-37-20-26-50-21-13-14-33-61(50)62)60-44-46-66-65-35-17-18-38-69(65)73(70(66)49-60,56-28-9-3-10-29-56)57-30-11-4-12-31-57/h1-49H
InChIKeyOFOLJXCFUAXABS-UHFFFAOYSA-N
MW940.20 g/mol
LogP19.65
Rot. Bonds9

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 169065537) has the molecular formula C73H49N and a molecular weight of 940.20 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID169065537
Molecular FormulaC73H49N
Molecular Weight940.20 g/mol
Exact Mass939.39
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C73H49N/c1-5-22-52(23-6-1)71-67-36-16-15-34-63(67)64-45-41-55(48-68(64)72(71)53-24-7-2-8-25-53)54-27-19-32-59(47-54)74(58-42-39-51(40-43-58)62-37-20-26-50-21-13-14-33-61(50)62)60-44-46-66-65-35-17-18-38-69(65)73(70(66)49-60,56-28-9-3-10-29-56)57-30-11-4-12-31-57/h1-49H
InChIKeyOFOLJXCFUAXABS-UHFFFAOYSA-N
XLogP19.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.20
LogP ≤ 519.65
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-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063862
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 169061855
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169064937
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 160929151
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 169065537) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is OFOLJXCFUAXABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N/c1-5-22-52(23-6-1)71-67-36-16-15-34-63(67)64-45-41-55(48-68(64)72(71)53-24-7-2-8-25-53)54-27-19-32-59(47-54)74(58-42-39-51(40-43-58)62-37-20-26-50-21-13-14-33-61(50)62)60-44-46-66-65-35-17-18-38-69(65)73(70(66)49-60,56-28-9-3-10-29-56)57-30-11-4-12-31-57/h1-49H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 940.20 g/mol, XLogP of 19.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 169065537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).