N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine

C51H33NS — CID 155305066

IUPACN-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5sc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)ccc32)cc1
InChIInChI=1S/C51H33NS/c1-3-16-35(17-4-1)51(36-18-5-2-6-19-36)46-25-13-11-22-41(46)44-32-37(27-29-47(44)51)52(38-28-30-50-45(33-38)43-24-12-14-26-49(43)53-50)48-31-34-15-7-8-20-39(34)40-21-9-10-23-42(40)48/h1-33H
InChIKeyOHOCYBYMAANXCU-UHFFFAOYSA-N
MW691.90 g/mol
LogP14.19
Rot. Bonds5

About N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine

N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine (PubChem CID 155305066) has the molecular formula C51H33NS and a molecular weight of 691.90 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine
PubChem CID155305066
Molecular FormulaC51H33NS
Molecular Weight691.90 g/mol
Exact Mass691.23
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5sc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)ccc32)cc1
InChIInChI=1S/C51H33NS/c1-3-16-35(17-4-1)51(36-18-5-2-6-19-36)46-25-13-11-22-41(46)44-32-37(27-29-47(44)51)52(38-28-30-50-45(33-38)43-24-12-14-26-49(43)53-50)48-31-34-15-7-8-20-39(34)40-21-9-10-23-42(40)48/h1-33H
InChIKeyOHOCYBYMAANXCU-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.90
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
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-phenylphenanthren-9-amine
CID 142589088
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424840
N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine
CID 129118387
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096827
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine (CID 155305066) is N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5sc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine?
The InChIKey is OHOCYBYMAANXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NS/c1-3-16-35(17-4-1)51(36-18-5-2-6-19-36)46-25-13-11-22-41(46)44-32-37(27-29-47(44)51)52(38-28-30-50-45(33-38)43-24-12-14-26-49(43)53-50)48-31-34-15-7-8-20-39(34)40-21-9-10-23-42(40)48/h1-33H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine?
N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine has a molecular weight of 691.90 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine is sourced from PubChem (CID 155305066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).