N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

C57H39N — CID 155304168

IUPACN,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4c(-c5ccccc5)c5ccccc5c5ccccc45)ccc2-3)cc1
InChIInChI=1S/C57H39N/c1-6-20-40(21-7-1)42-34-36-49-50-37-35-46(39-54(50)57(53(49)38-42,43-24-10-3-11-25-43)44-26-12-4-13-27-44)58(45-28-14-5-15-29-45)56-52-33-19-17-31-48(52)47-30-16-18-32-51(47)55(56)41-22-8-2-9-23-41/h1-39H
InChIKeyOCBIHUQHOCHUJB-UHFFFAOYSA-N
MW737.95 g/mol
LogP15.16
Rot. Bonds7

About N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (PubChem CID 155304168) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
PubChem CID155304168
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4c(-c5ccccc5)c5ccccc5c5ccccc45)ccc2-3)cc1
InChIInChI=1S/C57H39N/c1-6-20-40(21-7-1)42-34-36-49-50-37-35-46(39-54(50)57(53(49)38-42,43-24-10-3-11-25-43)44-26-12-4-13-27-44)58(45-28-14-5-15-29-45)56-52-33-19-17-31-48(52)47-30-16-18-32-51(47)55(56)41-22-8-2-9-23-41/h1-39H
InChIKeyOCBIHUQHOCHUJB-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
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

10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155305027
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304496
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-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine
CID 169280693

Frequently Asked Questions

What is the IUPAC name of N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The IUPAC name of N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (CID 155304168) is N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.
What is the SMILES notation for N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The canonical SMILES for N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4c(-c5ccccc5)c5ccccc5c5ccccc45)ccc2-3)cc1.
What is the InChIKey of N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The InChIKey is OCBIHUQHOCHUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-6-20-40(21-7-1)42-34-36-49-50-37-35-46(39-54(50)57(53(49)38-42,43-24-10-3-11-25-43)44-26-12-4-13-27-44)58(45-28-14-5-15-29-45)56-52-33-19-17-31-48(52)47-30-16-18-32-51(47)55(56)41-22-8-2-9-23-41/h1-39H.
What are the key properties of N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine has a molecular weight of 737.95 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is sourced from PubChem (CID 155304168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).