N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine

C65H43N — CID 142614658

IUPACN-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5ccc6ccc7ccccc7c6c5)c4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C65H43N/c1-3-21-50(22-4-1)65(51-23-5-2-6-24-51)63-32-14-13-31-59(63)62-43-54(37-38-64(62)65)66(52-25-15-19-46(39-52)47-36-35-45-34-33-44-17-7-9-27-55(44)60(45)41-47)53-26-16-20-48(40-53)61-42-49-18-8-10-28-56(49)57-29-11-12-30-58(57)61/h1-43H
InChIKeyXCLUTUMLSKPDES-UHFFFAOYSA-N
MW838.07 g/mol
LogP17.47
Rot. Bonds7

About N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine

N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 142614658) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol. Its IUPAC name is N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID142614658
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC NameN-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5ccc6ccc7ccccc7c6c5)c4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C65H43N/c1-3-21-50(22-4-1)65(51-23-5-2-6-24-51)63-32-14-13-31-59(63)62-43-54(37-38-64(62)65)66(52-25-15-19-46(39-52)47-36-35-45-34-33-44-17-7-9-27-55(44)60(45)41-47)53-26-16-20-48(40-53)61-42-49-18-8-10-28-56(49)57-29-11-12-30-58(57)61/h1-43H
InChIKeyXCLUTUMLSKPDES-UHFFFAOYSA-N
XLogP17.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.07
LogP ≤ 517.47
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-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
N-(9,9-diphenylfluoren-3-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 135229678
3-N-(9,9-dimethylfluoren-3-yl)-1-N-(10,10-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052273
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063961
N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine
CID 168740046
N-(9,9-diphenylfluoren-3-yl)-N-(4-phenanthren-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423713
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169064937
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714

Frequently Asked Questions

What is the IUPAC name of N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 142614658) is N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5ccc6ccc7ccccc7c6c5)c4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1.
What is the InChIKey of N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is XCLUTUMLSKPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-3-21-50(22-4-1)65(51-23-5-2-6-24-51)63-32-14-13-31-59(63)62-43-54(37-38-64(62)65)66(52-25-15-19-46(39-52)47-36-35-45-34-33-44-17-7-9-27-55(44)60(45)41-47)53-26-16-20-48(40-53)61-42-49-18-8-10-28-56(49)57-29-11-12-30-58(57)61/h1-43H.
What are the key properties of N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 838.07 g/mol, XLogP of 17.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 142614658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).