N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine

C51H35N — CID 135271681

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C51H35N/c1-4-15-36(16-5-1)37-29-31-42(32-30-37)52(49-26-14-18-39-28-27-38-17-10-11-23-44(38)50(39)49)43-33-34-46-45-24-12-13-25-47(45)51(48(46)35-43,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h1-35H
InChIKeyBLWKKLJOFJSZBM-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.49
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine

N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine (PubChem CID 135271681) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
PubChem CID135271681
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C51H35N/c1-4-15-36(16-5-1)37-29-31-42(32-30-37)52(49-26-14-18-39-28-27-38-17-10-11-23-44(38)50(39)49)43-33-34-46-45-24-12-13-25-47(45)51(48(46)35-43,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h1-35H
InChIKeyBLWKKLJOFJSZBM-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.49
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-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412464
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine (CID 135271681) is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine?
The InChIKey is BLWKKLJOFJSZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-4-15-36(16-5-1)37-29-31-42(32-30-37)52(49-26-14-18-39-28-27-38-17-10-11-23-44(38)50(39)49)43-33-34-46-45-24-12-13-25-47(45)51(48(46)35-43,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h1-35H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine has a molecular weight of 661.85 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine is sourced from PubChem (CID 135271681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).