N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C57H39N — CID 155304646

IUPACN-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C57H39N/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-34-47(35-33-43)58(56-38-44-18-10-11-23-49(44)50-24-12-13-26-52(50)56)48-36-37-55-53(39-48)51-25-14-15-27-54(51)57(55,45-19-6-2-7-20-45)46-21-8-3-9-22-46/h1-39H
InChIKeyTYKJMONKQWHVIG-UHFFFAOYSA-N
MW737.95 g/mol
LogP15.16
Rot. Bonds7

About N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155304646) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID155304646
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C57H39N/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-34-47(35-33-43)58(56-38-44-18-10-11-23-49(44)50-24-12-13-26-52(50)56)48-36-37-55-53(39-48)51-25-14-15-27-54(51)57(55,45-19-6-2-7-20-45)46-21-8-3-9-22-46/h1-39H
InChIKeyTYKJMONKQWHVIG-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

N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
3-N-(10,10-diphenyl-21-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N-phenyl-1-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052292
N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 121400531
N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine
CID 155305066
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 155304646) is N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is TYKJMONKQWHVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-34-47(35-33-43)58(56-38-44-18-10-11-23-49(44)50-24-12-13-26-52(50)56)48-36-37-55-53(39-48)51-25-14-15-27-54(51)57(55,45-19-6-2-7-20-45)46-21-8-3-9-22-46/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]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-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).